data_2kj6_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 2kj6 _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 ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t0 . . . . . 0 C--O 1.235 0.292 0 CA-C-O 121.015 0.436 . . . . 74.33 110.827 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.589 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 70.5 m -153.88 141.74 20.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.648 -0.705 . . . . 64.15 109.989 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.491 HG23 ' HG ' ' A' ' 17' ' ' LEU . 20.0 m -93.8 162.19 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.438 -0.346 . . . . 74.45 110.63 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -103.68 76.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.927 0.394 . . . . 75.33 110.238 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.491 ' HG ' HG23 ' A' ' 15' ' ' VAL . 91.8 mt -71.56 117.43 13.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.111 -0.495 . . . . 71.5 110.757 -177.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -81.23 93.75 6.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 63.25 110.299 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.464 HD13 ' HE2' ' A' ' 33' ' ' PHE . 65.1 mt -84.35 110.46 18.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.727 -0.67 . . . . 62.23 110.487 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.1 p -114.46 117.44 31.0 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.173 0.511 . . . . 71.21 110.978 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -84.84 120.97 27.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.679 -0.691 . . . . 75.33 109.348 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.72 -14.04 28.43 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.318 0.858 . . . . 50.05 113.318 -172.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -70.61 -20.54 62.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.327 . . . . 75.13 110.355 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mp -113.12 152.22 29.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.932 -0.576 . . . . 75.34 109.932 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -66.71 -52.38 45.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.226 0.536 . . . . 72.22 110.342 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.0 t -135.46 100.48 4.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.01 -0.541 . . . . 75.24 110.166 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -102.56 91.08 4.06 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.984 -0.747 . . . . 75.14 108.984 176.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.9 p -82.04 85.73 6.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.202 0.525 . . . . 74.45 111.435 -175.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.48 85.19 2.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.078 -0.51 . . . . 43.24 110.754 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.487 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 13.7 p-10 -91.28 87.76 6.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.177 0.989 . . . . 75.51 109.695 175.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.75 134.55 33.57 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.881 -1.054 . . . . 72.13 110.928 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 32' ' ' ARG . 6.2 ptm180 -71.85 115.72 11.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.618 -0.719 . . . . 65.24 110.694 175.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.464 ' HE2' HD13 ' A' ' 19' ' ' ILE . 63.4 m-85 -124.68 136.05 53.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.562 -0.745 . . . . 75.34 109.884 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -65.39 121.98 77.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.265 -0.642 . . . . 63.02 109.265 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.589 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 57.0 Cg_endo -71.74 13.13 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.02 2.48 . . . . 70.11 113.646 -173.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -93.42 1.61 56.8 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.543 -0.539 . . . . 71.41 109.543 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.6 ttm -87.32 130.11 34.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.571 -0.74 . . . . 73.23 110.315 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.6 p -92.11 162.81 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.007 0.432 . . . . 61.54 111.065 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.447 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 47.6 t -66.29 -34.56 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.564 -0.532 . . . . 75.23 109.564 175.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.77 -43.29 85.41 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.408 -0.814 . . . . 73.24 111.131 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.26 -48.55 72.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.967 -0.561 . . . . 75.43 111.868 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.6 p -67.01 -29.01 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.618 -0.265 . . . . 62.2 111.362 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 39' ' ' VAL . 34.2 mmtp -65.42 -60.29 3.12 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.774 0.321 . . . . 51.14 111.044 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.565 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 40.0 mt-10 -67.71 -24.58 65.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.389 . . . . 74.21 111.887 -176.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -60.5 -43.81 96.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.895 0.378 . . . . 74.43 110.587 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.3 mt -82.47 -30.77 29.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.217 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.565 ' HB3' ' HA ' ' A' ' 44' ' ' GLU . 59.2 t90 -60.12 -49.63 76.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.656 -0.702 . . . . 73.43 111.088 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 22.1 ptmt -69.35 -25.39 64.17 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.076 0.465 . . . . 70.13 110.914 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -81.03 -50.58 9.49 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.925 -0.579 . . . . 61.3 111.225 -174.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.4 m -93.23 -32.86 14.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.548 -0.296 . . . . 73.43 111.642 -176.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.15 53.64 8.93 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.65 -0.786 . . . . 61.44 112.073 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -146.01 159.37 43.35 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.398 -0.223 . . . . 74.5 110.398 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.0 p -89.61 119.06 29.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.198 0.523 . . . . 71.42 110.73 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.0 m -89.89 42.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.361 0.6 . . . . 74.14 111.171 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -82.28 -35.06 28.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.946 -0.57 . . . . 72.25 111.157 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -83.49 5.07 25.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.015 0.436 . . . . 73.1 111.611 -177.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 42.7 ttm -118.27 94.34 4.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.031 -0.532 . . . . 61.21 109.66 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.558 ' HB1' ' HB ' ' A' ' 93' ' ' ILE . . . -91.72 154.65 18.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.125 -0.488 . . . . 72.41 111.167 -175.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.65 96.63 5.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.144 -0.48 . . . . 72.44 110.761 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . 13.3 mm-40 -82.58 91.41 6.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.957 -0.565 . . . . 74.45 109.947 176.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 70' ' ' ALA . 56.8 tp -82.34 101.64 10.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.346 -0.843 . . . . 72.4 110.307 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 60' ' ' GLU . 49.1 m-85 -98.52 159.35 15.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.077 0.465 . . . . 73.52 111.081 -178.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -104.24 -164.57 1.07 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.619 -0.718 . . . . 73.23 109.435 175.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -79.04 -27.48 43.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.723 0.297 . . . . 64.45 110.722 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.9 t -71.14 -45.66 63.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.992 0.425 . . . . 74.13 110.065 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.23 33.46 0.72 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.453 -0.88 . . . . 72.32 112.299 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 m -124.51 157.92 34.16 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.826 -0.435 . . . . 70.43 109.826 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -85.17 111.15 19.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.448 0.642 . . . . 65.54 110.065 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.2 m -86.43 -6.11 10.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.668 -0.696 . . . . 63.52 111.001 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.527 ' HB3' ' HB3' ' A' ' 61' ' ' LEU . . . -70.27 110.38 5.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.035 -0.53 . . . . 74.42 109.79 174.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.3 p -111.26 0.66 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.496 0.665 . . . . 70.4 109.926 -176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 73.01 -4.34 2.2 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.141 -0.936 . . . . 72.0 111.531 176.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -85.68 -18.03 34.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.62 -0.882 . . . . 75.51 108.62 171.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -76.61 -3.8 39.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.254 -1.339 . . . . 64.53 110.897 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -60.62 -25.95 66.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.674 -0.694 . . . . 72.01 111.208 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.8 p -129.64 22.71 5.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 74.23 111.162 -174.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -122.97 135.9 26.32 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.379 -0.373 . . . . 74.32 110.311 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.466 ' HG2' ' HB3' ' A' ' 81' ' ' PHE . 15.2 Cg_endo -59.66 116.66 3.45 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.344 2.029 . . . . 62.44 111.398 174.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.9 mt -55.2 -40.25 70.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.055 -0.52 . . . . 72.44 111.558 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.09 0.59 72.74 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.029 -0.605 . . . . 73.31 112.866 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.466 ' HB3' ' HG2' ' A' ' 78' ' ' PRO . 69.9 t80 -108.4 -15.51 14.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.152 0.501 . . . . 73.55 109.754 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -92.68 -54.78 3.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.879 -0.601 . . . . 73.43 111.06 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.445 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 46.7 m -136.15 131.38 18.71 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.778 0.323 . . . . 71.43 111.446 -177.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 83' ' ' SER . 4.2 Cg_exo -80.53 95.04 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.205 2.603 . . . . 45.2 112.349 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -137.78 137.38 38.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.968 -0.56 . . . . 74.02 109.871 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -62.77 -39.61 94.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.106 0.479 . . . . 70.1 110.858 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -162.4 129.5 2.08 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.746 -0.74 . . . . 54.3 112.025 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.481 ' HB3' HD11 ' A' ' 61' ' ' LEU . 97.3 m-85 -87.46 161.61 17.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.754 0.311 . . . . 71.01 110.613 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 -94.37 101.82 13.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.085 -0.507 . . . . 74.02 110.819 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 66.2 mt -97.19 96.52 8.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.36 -0.382 . . . . 70.41 110.394 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -98.4 101.35 12.77 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.983 -0.747 . . . . 61.22 108.983 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.8 mt -73.33 111.53 8.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.694 -0.684 . . . . 71.43 111.085 -175.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.558 ' HB ' ' HB1' ' A' ' 58' ' ' ALA . 48.9 mm -82.31 82.63 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 108.927 -0.768 . . . . 61.31 108.927 175.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -89.05 94.55 9.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.709 -1.132 . . . . 70.14 109.846 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.504 ' HG ' HG23 ' A' ' 93' ' ' ILE . 78.8 mt -97.75 16.38 20.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.664 -0.698 . . . . 74.43 110.883 -176.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -115.53 83.58 11.13 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 121.181 0.515 . . . . 71.14 109.746 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 95' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.905 0 C-N-CA 123.138 2.559 . . . . 51.55 111.521 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 CA--C 1.524 -0.037 0 CA-C-O 120.994 0.426 . . . . 75.41 110.338 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.5 m -160.09 141.16 12.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.92 -0.582 . . . . 75.15 109.953 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.9 m -105.48 152.31 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.766 0.317 . . . . 75.32 110.303 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -91.87 93.58 8.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.222 -0.445 . . . . 71.41 110.237 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -74.74 104.92 5.58 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.593 -0.521 . . . . 72.54 109.593 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -72.38 101.43 2.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.062 -0.517 . . . . 74.41 110.212 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.0 mt -87.14 118.5 33.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.977 -0.556 . . . . 74.3 110.348 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.4 m -121.16 98.37 5.95 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.055 -0.521 . . . . 72.4 109.894 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -76.67 124.02 27.02 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.586 -0.524 . . . . 64.11 109.586 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.502 ' HB1' HD13 ' A' ' 93' ' ' ILE . . . -56.81 -37.43 71.18 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.04 0.385 . . . . 74.12 112.04 -176.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.561 ' ND2' ' HA ' ' A' ' 97' ' ' PRO . 3.2 m-20 -59.9 -33.5 71.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 65.02 110.899 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.4 mt -127.26 86.1 2.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.298 -0.63 . . . . 50.44 109.298 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 13.9 ptpt -71.63 -2.03 15.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.216 -0.447 . . . . 63.33 111.979 -173.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 t -98.96 4.73 47.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.966 0.412 . . . . 63.31 110.013 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -78.9 107.58 11.74 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.475 -0.565 . . . . 72.14 109.475 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 p -118.65 23.77 11.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.829 -0.623 . . . . 64.22 111.193 -175.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.47 113.92 21.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.154 0.502 . . . . 70.22 111.278 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -90.51 150.5 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.836 -0.62 . . . . 74.32 109.929 176.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.61 139.99 52.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.075 0.464 . . . . 63.11 111.517 -176.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -81.18 112.77 18.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.619 -0.719 . . . . 75.31 110.911 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -140.18 169.64 17.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.922 0.391 . . . . 74.12 110.781 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.8 p -105.23 123.68 38.91 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.642 -0.708 . . . . 65.41 110.094 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.73 -8.38 21.08 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.055 2.504 . . . . 60.3 112.318 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -77.67 3.55 13.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 74.31 111.138 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.8 ttm -91.14 146.58 23.72 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.776 -0.453 . . . . 64.34 109.776 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 p -95.36 151.72 19.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.121 0.486 . . . . 45.51 111.001 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.99 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 18.4 t -78.3 -8.28 11.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.83 0.824 . . . . 74.21 109.76 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.462 ' HB2' ' HA ' ' A' ' 76' ' ' SER . 27.6 tt0 -66.03 -42.53 89.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.575 -0.739 . . . . 62.43 110.321 176.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.82 -31.16 45.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.881 -0.6 . . . . 72.32 112.112 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.21 -25.89 36.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 111.483 0.179 . . . . 73.11 111.483 -174.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -63.09 -51.74 65.4 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.799 0.333 . . . . 71.24 110.386 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 36.6 tt0 -68.54 -30.63 69.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.489 . . . . 74.43 110.101 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.99 -41.7 88.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.895 -0.593 . . . . 72.54 110.877 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.2 mt -81.64 -24.95 36.04 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.994 0.426 . . . . 73.23 110.597 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -69.53 -54.44 14.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.83 -0.623 . . . . 72.42 110.789 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 56.4 pttt -81.98 -6.85 59.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.942 0.401 . . . . 70.3 111.361 -176.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -80.49 -43.07 21.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.064 0.459 . . . . 74.22 110.306 176.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.7 t -160.29 -37.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.83 -0.623 . . . . 71.34 110.249 -176.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.19 50.03 0.84 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.738 -0.744 . . . . 38.4 112.208 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.3 m -67.94 -22.32 65.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 75.31 111.098 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.8 t 72.68 160.21 0.23 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.793 -0.639 . . . . 73.24 111.168 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -106.15 -1.22 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.876 -0.602 . . . . 71.31 110.747 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -99.47 -28.64 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 72.22 110.641 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -86.8 10.81 14.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.212 0.529 . . . . 71.12 110.259 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.8 ttp -147.07 132.43 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.84 -0.618 . . . . 74.35 110.208 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.579 ' HB1' ' HB ' ' A' ' 93' ' ' ILE . . . -117.12 141.77 47.85 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.774 -0.454 . . . . 75.12 109.774 175.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.4 mt -105.93 95.53 5.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.318 -0.401 . . . . 74.44 110.868 -174.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.757 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 24.3 mm-40 -79.6 88.11 5.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 61.14 110.252 176.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.1 tp -79.62 104.16 10.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.65 -0.705 . . . . 64.4 110.221 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.416 ' CZ ' ' HB3' ' A' ' 60' ' ' GLU . 23.3 m-85 -105.01 139.66 39.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.008 -0.542 . . . . 73.54 111.127 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.402 ' HA ' ' CD1' ' A' ' 88' ' ' PHE . 15.8 t70 -74.47 88.82 2.12 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.916 -0.772 . . . . 63.11 108.916 176.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.9 t70 57.97 31.01 20.05 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.249 -0.887 . . . . 75.32 110.445 -177.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.606 ' OG ' ' HD2' ' A' ' 89' ' ' ARG . 74.1 m 69.54 0.95 3.14 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.25 -0.886 . . . . 73.33 112.907 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.92 -67.54 1.3 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.365 -0.921 . . . . 44.44 111.673 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.1 m -96.9 171.4 8.53 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.828 -0.434 . . . . 52.35 109.828 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -115.61 126.23 53.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.118 0.485 . . . . 73.21 110.412 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.3 m -125.45 17.66 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 74.01 111.114 -173.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.08 91.29 4.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.109 -0.496 . . . . 53.52 111.068 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -102.03 -40.74 7.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.411 -0.359 . . . . 75.41 110.918 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 54.86 67.84 0.95 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.273 0.558 . . . . 74.15 111.194 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.7 t -134.34 6.01 3.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.159 0.981 . . . . 72.21 108.492 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -146.3 19.35 1.38 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.233 -1.349 . . . . 63.5 109.492 -172.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.99 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 7.7 p-10 -69.19 -17.31 63.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.323 -0.853 . . . . 73.55 111.141 -174.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.462 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 16.8 m -79.49 2.83 20.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.131 -0.486 . . . . 72.12 110.714 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.8 mmm180 -117.93 157.1 49.26 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 54.24 109.801 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.417 ' HB2' ' HB2' ' A' ' 81' ' ' PHE . 9.6 Cg_exo -72.63 118.05 5.41 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.471 2.114 . . . . 73.51 111.326 174.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.94 -37.47 79.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.878 0.371 . . . . 61.13 111.135 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.02 -3.65 88.31 Favored Glycine 0 CA--C 1.518 0.28 0 CA-C-N 116.115 -0.493 . . . . 51.13 113.058 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.417 ' HB2' ' HB2' ' A' ' 78' ' ' PRO . 85.5 t80 -76.96 -43.65 34.27 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.549 -0.537 . . . . 74.14 109.549 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -89.21 -54.74 3.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.615 -0.72 . . . . 75.11 109.618 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.9 t 57.82 88.18 0.13 Allowed Pre-proline 0 C--O 1.234 0.281 0 CA-C-N 115.238 -0.892 . . . . 74.11 111.913 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.46 -47.99 2.68 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.155 1.903 . . . . 73.3 110.061 171.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -144.01 -53.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.945 -1.025 . . . . 75.2 109.003 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.1 t70 69.5 159.3 0.18 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.213 -0.903 . . . . 73.45 111.495 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.65 38.88 8.51 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 110.875 -0.89 . . . . 38.4 110.875 -173.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.402 ' CD1' ' HA ' ' A' ' 63' ' ' ASP . 57.8 m-85 -83.5 -178.44 7.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.263 0.554 . . . . 74.24 111.259 -175.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.606 ' HD2' ' OG ' ' A' ' 65' ' ' SER . 71.5 mtt180 -122.32 138.62 54.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.042 -0.725 . . . . 74.04 109.042 177.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.72 108.75 20.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.787 0.327 . . . . 75.43 111.569 -172.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.757 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 9.9 t-80 -88.2 96.26 10.48 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.827 -0.805 . . . . 71.41 108.827 174.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.7 mm -79.9 113.67 19.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.945 -0.57 . . . . 74.43 110.816 -173.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.579 ' HB ' ' HB1' ' A' ' 58' ' ' ALA . 38.4 mm -94.39 120.3 43.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.674 -0.693 . . . . 72.55 110.222 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -99.11 149.99 22.48 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.765 -0.828 . . . . 74.03 108.765 175.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 tp -76.08 -23.34 54.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.821 0.343 . . . . 74.0 110.841 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 35.0 t70 -127.83 117.56 20.89 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 120.71 0.291 . . . . 54.14 110.77 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.561 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 4.3 Cg_exo . . . . . 0 C--O 1.246 0.904 0 C-N-CA 123.184 2.589 . . . . 54.21 112.13 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.407 -0.22 . . . . 53.44 110.407 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.6 p 62.13 165.81 0.1 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.318 1.047 . . . . 73.02 112.757 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 27.8 m -125.15 144.0 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.888 -0.597 . . . . 63.02 110.683 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -92.76 110.39 21.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.093 -0.503 . . . . 72.32 111.196 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.6 mt -108.59 139.17 43.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.776 -0.647 . . . . 64.34 109.671 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -93.24 98.56 11.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.527 -0.306 . . . . 75.44 110.238 -176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.1 mt -81.37 132.75 30.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.338 -0.392 . . . . 71.54 110.869 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.688 ' HA ' ' HD2' ' A' ' 27' ' ' PHE . 17.3 m -139.86 127.82 22.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.345 -0.389 . . . . 74.42 110.216 176.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.47 149.28 25.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.173 -0.677 . . . . 74.54 109.173 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.75 93.15 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.682 0.623 . . . . 61.45 112.682 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -82.02 -11.32 58.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.239 0.542 . . . . 73.04 110.907 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.7 mt -93.49 113.73 25.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.054 0.454 . . . . 71.22 110.789 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -72.17 -53.79 11.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.811 -0.632 . . . . 72.15 110.127 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -98.25 96.05 7.81 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.764 -0.458 . . . . 75.14 109.764 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.688 ' HD2' ' HA ' ' A' ' 20' ' ' THR . 27.9 t80 -152.74 110.86 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.939 -0.573 . . . . 74.22 109.81 176.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -143.06 60.91 1.41 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.824 -0.625 . . . . 71.53 109.523 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.12 118.99 11.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.737 -0.665 . . . . 54.34 111.435 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -75.18 97.51 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.989 -0.551 . . . . 74.31 109.998 175.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.86 143.85 48.69 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.164 -0.471 . . . . 75.45 110.636 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 19.0 ptt180 -113.1 111.75 22.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.419 0.628 . . . . 55.33 110.406 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -105.1 165.03 11.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.582 -0.735 . . . . 73.21 109.922 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.1 p -87.44 146.36 39.5 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 110.117 -0.327 . . . . 72.42 110.117 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.542 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 42.0 Cg_endo -68.56 3.54 2.17 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.075 2.517 . . . . 61.55 112.803 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -97.91 4.33 49.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.288 -0.415 . . . . 63.32 110.643 -177.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 60.3 ttp -82.71 111.77 18.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.308 -177.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.3 m -93.71 142.33 27.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.668 -0.696 . . . . 65.35 109.136 172.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.623 ' HB ' ' HA ' ' A' ' 75' ' ' ASP . 41.7 t -64.54 -33.91 66.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 112.041 0.385 . . . . 64.02 112.041 -173.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.534 ' HB2' ' HB2' ' A' ' 75' ' ' ASP . 37.1 tt0 -68.37 -33.58 74.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.131 0.491 . . . . 60.42 109.735 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.39 -39.14 74.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 74.42 110.96 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.59 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.5 p -75.45 -30.27 22.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.606 -0.438 . . . . 55.34 110.703 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.865 ' HD3' ' HB ' ' A' ' 54' ' ' VAL . 87.6 mttt -63.74 -35.9 82.09 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.737 0.303 . . . . 75.14 110.539 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.58 -41.23 80.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.007 -0.542 . . . . 62.31 109.874 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -88.73 8.65 27.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.918 -0.583 . . . . 74.54 111.389 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 42' ' ' VAL . 89.3 mt -98.05 -42.57 7.43 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.048 -0.723 . . . . 71.12 109.048 170.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -64.88 -38.49 91.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.315 -0.857 . . . . 74.21 109.85 175.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -79.27 -4.51 51.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.942 -0.572 . . . . 75.33 111.892 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.621 ' HZ1' ' HB2' ' A' ' 49' ' ' LYS . 4.1 ttmp? -107.58 -59.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.971 0.415 . . . . 74.41 111.321 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 60.8 m -97.99 -23.42 15.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.296 -0.411 . . . . 71.21 111.207 -175.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.48 67.97 1.6 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.548 -0.834 . . . . 52.24 111.411 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.6 m -146.32 135.56 22.78 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.863 -0.421 . . . . 71.35 109.863 -177.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 m -56.4 127.88 33.21 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.453 0.471 . . . . 63.2 109.914 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.865 ' HB ' ' HD3' ' A' ' 43' ' ' LYS . 26.9 m -70.8 3.68 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.091 -0.504 . . . . 73.52 112.012 -172.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -93.95 -32.05 14.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.074 -0.512 . . . . 75.22 110.778 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.2 m -75.94 -37.76 58.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 54.44 111.774 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.56 ' HE3' HD11 ' A' ' 46' ' ' LEU . 47.0 ttp -98.91 103.54 15.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.099 0.476 . . . . 55.24 110.634 -177.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.44 -174.84 2.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.716 -0.675 . . . . 64.21 110.464 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.8 mt -130.79 125.68 34.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 74.22 111.194 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.872 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 9.0 mm-40 -87.33 97.18 10.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.796 -0.638 . . . . 74.12 110.027 172.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.664 ' HG ' HG22 ' A' ' 69' ' ' VAL . 43.1 tp -83.94 104.66 14.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.038 -0.528 . . . . 65.3 110.13 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.564 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 27.4 m-85 -101.12 141.17 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.02 -0.536 . . . . 74.42 111.126 -179.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -117.19 -178.56 3.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 75.31 109.768 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -97.73 -20.0 17.87 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.015 0.376 . . . . 73.43 112.015 -176.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -84.86 -48.55 9.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.125 0.488 . . . . 70.44 110.177 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.93 -110.94 3.33 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.935 -0.65 . . . . 62.34 111.776 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 67.2 m -152.67 -70.82 0.15 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.358 -0.238 . . . . 75.32 110.358 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -106.22 114.31 28.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.329 -0.248 . . . . 54.44 110.329 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.664 HG22 ' HG ' ' A' ' 61' ' ' LEU . 2.7 m -108.8 28.8 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.968 0.413 . . . . 75.05 110.553 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.7 89.42 2.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.846 -0.615 . . . . 72.42 110.874 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.553 HG23 ' HZ ' ' A' ' 82' ' ' PHE . 62.9 t -68.01 -38.79 80.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.842 -0.617 . . . . 60.25 109.909 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 tp 70.77 19.23 5.99 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 115.162 -0.926 . . . . 63.1 111.129 172.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 t -109.49 -2.93 17.34 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.837 -1.171 . . . . 73.41 107.837 171.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.67 6.15 7.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 113.786 -1.552 . . . . 72.25 111.904 -177.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.623 ' HA ' ' HB ' ' A' ' 39' ' ' VAL . 1.8 p30 -71.11 -41.5 70.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.55 -0.295 . . . . 72.43 111.287 178.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.8 m -97.94 -8.78 27.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.812 0.339 . . . . 65.24 111.21 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.452 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 7.2 mmm180 -111.45 124.63 32.15 Favored Pre-proline 0 C--N 1.324 -0.538 0 C-N-CA 120.719 -0.392 . . . . 61.24 110.146 -175.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 77' ' ' ARG . 10.5 Cg_endo -54.53 122.06 10.89 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 122.51 2.14 . . . . 74.13 111.003 174.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.27 -22.94 54.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 75.53 111.762 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.542 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -67.99 -37.92 88.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 73.41 112.365 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -77.18 -21.45 53.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.294 0.569 . . . . 75.05 109.68 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.553 ' HZ ' HG23 ' A' ' 71' ' ' VAL . 49.9 t80 -84.7 1.11 47.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.405 -0.816 . . . . 72.15 110.146 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.6 t 70.45 90.52 0.08 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 115.363 -0.835 . . . . 53.45 110.823 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -86.98 157.38 8.6 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.876 2.384 . . . . 61.31 112.658 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -126.23 146.08 50.13 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.047 -0.524 . . . . 74.11 109.861 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -77.54 0.04 24.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.998 0.428 . . . . 61.15 110.766 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.1 4.24 60.63 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.03 -0.605 . . . . 45.22 111.921 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -71.22 124.44 24.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.185 0.517 . . . . 74.22 110.958 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.564 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 80.3 mtt85 -107.14 127.28 53.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.382 -0.826 . . . . 74.43 109.639 175.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.0 mt -103.52 94.84 5.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.162 -0.472 . . . . 71.34 110.303 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.872 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 8.5 t-80 -89.34 103.96 16.55 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.322 -0.621 . . . . 54.41 109.322 177.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.8 mt -65.43 126.5 24.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.795 -0.638 . . . . 74.41 110.552 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.493 HD12 ' HG2' ' A' ' 60' ' ' GLU . 31.3 mm -81.35 98.77 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.369 0.604 . . . . 73.52 110.656 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -98.96 94.31 6.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.265 -0.88 . . . . 74.32 109.166 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 93.8 mt -82.73 -71.3 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.169 -0.468 . . . . 72.0 110.647 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 5.0 p-10 -153.42 146.14 17.51 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.924 -0.58 . . . . 72.41 110.424 -178.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 5.6 Cg_exo . . . . . 0 C--O 1.244 0.818 0 C-N-CA 123.155 2.57 . . . . 73.52 111.89 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 121.536 0.684 . . . . 53.44 110.371 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.9 p -161.02 145.65 13.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.529 -0.759 . . . . 73.02 109.776 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 m -105.94 126.22 61.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.888 0.375 . . . . 63.02 110.914 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.579 ' HB2' ' HB2' ' A' ' 86' ' ' ASP . 74.1 m80 -88.52 80.76 7.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.046 0.45 . . . . 72.32 109.891 175.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.6 mt -71.52 121.51 18.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.772 -0.649 . . . . 64.34 110.425 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -85.11 89.32 7.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.861 0.362 . . . . 75.44 110.362 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 29' ' ' ALA . 67.5 mt -71.23 121.81 21.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 71.54 109.866 177.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.9 m -136.43 149.05 48.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.352 -0.385 . . . . 74.42 109.974 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -99.34 177.58 5.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.743 0.306 . . . . 74.54 110.358 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.413 ' HB3' ' HB2' ' A' ' 94' ' ' ASP . . . -89.72 -37.74 14.35 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.414 -0.587 . . . . 61.45 109.414 173.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -72.77 -31.5 64.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.157 -0.928 . . . . 73.04 110.427 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.8 mt -113.64 111.25 21.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 71.22 110.203 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -78.98 -36.08 41.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 72.15 110.628 -175.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 t -109.65 89.88 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.987 0.422 . . . . 75.14 109.958 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -112.99 112.05 23.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.2 -0.454 . . . . 74.22 109.977 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.5 m -75.32 97.37 3.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.534 . . . . 71.53 110.703 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.411 ' HB2' ' HB ' ' A' ' 19' ' ' ILE . . . -149.37 30.23 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.126 -0.488 . . . . 54.34 111.252 -178.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -78.2 76.42 4.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.872 0.844 . . . . 74.31 110.724 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.571 ' O ' ' HA ' ' A' ' 16' ' ' HIS . . . -96.71 159.7 14.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.333 -0.849 . . . . 75.45 110.658 -178.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -92.12 112.44 24.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.186 0.517 . . . . 55.33 110.203 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -108.38 160.33 15.95 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.768 -0.651 . . . . 73.21 110.77 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.417 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 41.3 m -71.53 139.71 84.02 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 115.581 -0.736 . . . . 72.42 110.4 177.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 36.1 Cg_exo -61.48 -28.15 83.18 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 122.793 2.329 . . . . 61.55 112.711 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -90.48 15.61 10.43 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.284 0.476 . . . . 63.32 112.284 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 52.8 ttp -85.78 90.61 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.918 -0.771 . . . . 74.13 108.918 173.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.0 p -85.01 170.25 13.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.0 -0.545 . . . . 65.35 111.466 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.735 ' HA ' HG12 ' A' ' 42' ' ' VAL . 55.4 t -68.6 -33.53 60.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 64.02 109.396 175.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.736 ' HB2' ' HA ' ' A' ' 76' ' ' SER . 38.9 tt0 -54.77 -40.97 69.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.677 -0.692 . . . . 60.42 110.442 175.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.65 -44.22 43.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.887 -0.597 . . . . 74.42 111.122 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.735 HG12 ' HA ' ' A' ' 39' ' ' VAL . 4.7 p -69.97 -25.98 29.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.394 -0.367 . . . . 55.34 111.55 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -59.46 -39.12 82.62 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.479 0.18 . . . . 75.14 110.813 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -67.12 -41.18 86.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.497 0.665 . . . . 62.31 110.116 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -71.75 -45.47 61.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.356 -0.838 . . . . 74.54 111.248 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.491 ' HG ' HG21 ' A' ' 42' ' ' VAL . 95.0 mt -73.28 -23.7 60.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.358 -0.383 . . . . 71.12 111.371 -178.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -58.48 -52.46 65.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.408 -0.36 . . . . 74.21 110.825 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -69.63 -25.95 64.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.342 -0.39 . . . . 75.33 111.409 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.859 ' HA ' ' HZ1' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -67.61 -37.88 83.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 74.41 110.564 178.24 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.2 m -90.24 -36.86 14.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.056 -0.52 . . . . 71.21 111.228 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.94 14.81 81.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 52.24 111.541 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.1 m -153.13 166.28 32.98 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.636 -0.876 . . . . 71.35 108.636 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -60.45 135.84 57.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.894 0.378 . . . . 63.2 110.319 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.8 m -86.24 24.93 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.23 -0.441 . . . . 73.52 111.403 -174.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -64.62 -41.52 96.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.849 -0.614 . . . . 75.22 111.537 -176.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.2 m -73.57 -20.01 60.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.977 0.418 . . . . 54.44 111.851 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.0 ttp -90.71 91.23 8.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.029 0.442 . . . . 55.24 110.613 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.56 145.08 27.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.989 -0.55 . . . . 64.21 111.22 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.5 mt -103.52 108.71 20.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 74.22 110.778 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.692 ' HG3' HD12 ' A' ' 93' ' ' ILE . 3.2 mm-40 -80.37 108.98 14.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.278 175.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.532 ' HG ' HG22 ' A' ' 69' ' ' VAL . 36.4 tp -91.96 100.4 13.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.099 -0.501 . . . . 65.3 110.291 -178.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -98.98 152.37 19.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.966 -0.561 . . . . 74.42 111.082 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -126.03 -173.04 2.75 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.58 -0.896 . . . . 75.31 108.58 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -113.74 -1.3 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.14 0.422 . . . . 73.43 112.14 -176.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 t -103.29 -44.98 5.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.09 0.471 . . . . 70.44 110.136 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -102.42 -105.31 2.9 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.761 -0.654 . . . . 62.34 111.494 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.0 m -158.79 -60.43 0.07 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.942 0.401 . . . . 75.32 109.943 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -126.49 120.06 28.75 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.082 -0.508 . . . . 54.44 110.154 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.532 HG22 ' HG ' ' A' ' 61' ' ' LEU . 11.9 m -112.09 23.13 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.086 0.469 . . . . 75.05 110.77 178.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.56 94.17 2.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.907 -0.588 . . . . 72.42 111.017 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.11 -51.75 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.928 -0.578 . . . . 60.25 110.279 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.5 tp 65.52 27.3 11.65 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.65 -0.704 . . . . 63.1 111.066 174.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.4 t -121.2 -3.71 9.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.229 1.014 . . . . 73.41 108.564 174.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -101.43 5.4 42.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.047 -1.433 . . . . 72.25 110.442 -177.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -60.51 -43.92 96.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.644 -0.707 . . . . 72.43 112.183 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.736 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 54.7 m -93.63 6.93 46.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.155 0.502 . . . . 65.24 111.012 -175.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -107.35 150.85 40.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.078 -0.712 . . . . 61.24 109.078 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -55.71 124.21 15.73 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.879 1.72 . . . . 74.13 110.605 172.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.879 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 27.8 tp -58.16 -38.13 76.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.991 0.424 . . . . 75.53 111.498 -173.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.16 -12.65 69.1 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.423 -0.418 . . . . 73.41 112.644 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -84.24 -27.3 28.04 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.238 -0.653 . . . . 75.05 109.238 177.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -82.96 -32.31 27.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.238 -0.892 . . . . 72.15 109.354 173.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.8 t 72.43 87.27 0.1 Allowed Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 115.055 -0.975 . . . . 53.45 110.992 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.879 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 60.8 Cg_endo -96.0 -166.84 0.12 Allowed 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.392 2.728 . . . . 61.31 112.008 176.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -137.09 157.31 46.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.401 -0.363 . . . . 74.11 110.146 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.579 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . 7.8 p-10 -80.84 4.0 20.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.187 -0.46 . . . . 61.15 110.998 -178.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.31 -6.02 69.17 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.583 -0.818 . . . . 45.22 112.316 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.485 ' HB3' HD11 ' A' ' 61' ' ' LEU . 47.7 m-85 -87.4 153.81 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.025 0.441 . . . . 74.22 110.752 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 89' ' ' ARG . 57.4 mtt85 -122.66 132.56 54.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.963 -0.562 . . . . 74.43 110.918 -176.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.1 mt -95.02 96.25 9.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.989 -0.551 . . . . 71.34 109.659 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -90.73 97.06 10.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.047 -0.524 . . . . 54.41 110.474 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.65 124.07 19.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.854 -0.612 . . . . 74.41 110.193 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.692 HD12 ' HG3' ' A' ' 60' ' ' GLU . 46.4 mm -80.09 116.93 25.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.029 0.442 . . . . 73.52 110.972 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 13.0 m-20 -88.94 110.88 21.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.815 -0.629 . . . . 74.32 109.781 176.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.616 ' HG ' HG22 ' A' ' 93' ' ' ILE . 96.9 mt -120.08 -80.11 0.61 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.919 0.39 . . . . 72.0 110.546 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.46 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 9.1 p-10 -155.41 120.2 2.52 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.104 -0.498 . . . . 72.41 110.548 -178.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 11.2 Cg_endo . . . . . 0 C--O 1.248 1.013 0 C-N-CA 123.436 2.757 . . . . 73.52 111.632 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.282 0.563 . . . . 53.44 110.812 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.557 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 14.7 p -137.6 119.52 15.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.064 -0.516 . . . . 73.02 111.677 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -83.67 123.09 38.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.562 -0.903 . . . . 63.02 108.562 169.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -89.46 94.94 10.07 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.082 0.468 . . . . 72.32 110.511 -172.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.464 HD13 HD11 ' A' ' 90' ' ' LEU . 88.9 mt -101.97 123.57 46.1 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.675 -0.693 . . . . 64.34 110.359 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -98.38 107.41 19.86 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.136 -0.69 . . . . 75.44 109.136 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.434 ' HB ' ' HB2' ' A' ' 29' ' ' ALA . 61.8 mt -81.15 133.91 28.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.543 -0.299 . . . . 71.54 110.66 -175.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.5 m -142.88 142.42 31.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.316 -0.402 . . . . 74.42 110.446 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.95 168.48 10.94 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.507 -0.553 . . . . 74.54 109.507 -178.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.97 -57.04 4.23 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.879 -0.329 . . . . 61.45 111.232 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -71.74 -45.01 63.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.228 0.537 . . . . 73.04 110.313 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.3 mt -80.28 81.77 6.46 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.242 -0.651 . . . . 71.22 109.242 172.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -74.84 -29.6 61.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.731 -0.668 . . . . 72.15 110.442 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 t -97.95 60.76 1.5 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.915 -0.772 . . . . 75.14 108.915 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -106.07 94.42 5.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.543 -0.753 . . . . 74.22 109.668 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -82.73 82.05 8.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.006 -0.543 . . . . 71.53 110.802 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.434 ' HB2' ' HB ' ' A' ' 19' ' ' ILE . . . -113.17 97.65 6.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.093 -0.503 . . . . 54.34 109.818 175.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -101.63 125.05 48.22 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.359 -0.382 . . . . 74.31 110.526 -175.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.71 168.49 19.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.147 0.499 . . . . 75.45 111.558 -176.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.557 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 30.2 ptt180 -133.52 130.72 38.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.631 -0.713 . . . . 55.33 109.828 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.67 -170.6 2.29 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.479 -0.328 . . . . 73.21 110.386 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 9.5 p -103.19 148.5 35.75 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.335 -0.393 . . . . 72.42 110.571 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 13.4 Cg_exo -70.76 2.39 4.14 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.026 2.484 . . . . 61.55 112.641 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -85.45 -13.53 48.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.943 -0.571 . . . . 63.32 110.362 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 57.5 ttp -90.9 115.56 28.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 74.13 110.504 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.8 p -96.16 175.13 6.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.096 -0.502 . . . . 65.35 110.389 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.491 HG13 ' HE3' ' A' ' 43' ' ' LYS . 48.0 t -66.07 -39.09 83.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.972 0.415 . . . . 64.02 110.107 178.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.18 -33.04 73.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.255 0.55 . . . . 60.42 110.497 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.33 -46.96 75.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.817 -0.629 . . . . 74.42 111.173 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 p -71.79 -30.86 39.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 120.759 -0.376 . . . . 55.34 110.341 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.491 ' HE3' HG13 ' A' ' 39' ' ' VAL . 96.3 mttt -57.35 -46.39 83.36 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.934 0.397 . . . . 75.14 110.589 176.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -59.38 -41.33 89.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.577 -0.738 . . . . 62.31 111.04 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -73.93 -35.66 64.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.37 -0.377 . . . . 74.54 110.909 -175.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.517 HD11 ' HE2' ' A' ' 57' ' ' MET . 91.8 mt -67.56 -35.34 78.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.356 0.598 . . . . 71.12 109.891 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.531 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 34.2 t90 -68.14 -17.34 64.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.122 -0.944 . . . . 74.21 110.679 176.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -97.91 -37.36 9.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.478 -0.328 . . . . 75.33 111.053 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -63.34 -52.9 59.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.073 -0.512 . . . . 74.41 111.325 -177.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.5 m -124.83 -3.35 7.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.611 -0.268 . . . . 71.21 111.499 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' A' ' 47' ' ' TRP . . . 70.97 29.03 69.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.543 -0.837 . . . . 52.24 111.283 -175.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 m -74.6 112.26 10.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.737 0.303 . . . . 71.35 110.982 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.0 m -64.23 119.75 10.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.558 -0.534 . . . . 63.2 109.558 174.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.25 -6.16 6.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.197 -0.456 . . . . 73.52 112.075 -174.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -68.05 -35.54 78.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.261 0.553 . . . . 75.22 110.079 174.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 p -101.65 21.69 14.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.661 -0.7 . . . . 54.44 111.204 -177.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.517 ' HE2' HD11 ' A' ' 46' ' ' LEU . 48.2 ttp -145.88 100.29 3.38 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.105 0.479 . . . . 55.24 110.174 178.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.47 145.07 26.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.951 -0.568 . . . . 64.21 110.766 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.9 mt -109.01 103.47 12.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.155 0.502 . . . . 74.22 110.091 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.1 97.69 10.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.759 -0.655 . . . . 74.12 110.564 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.604 ' HG ' HG22 ' A' ' 69' ' ' VAL . 34.0 tp -84.79 97.36 9.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.781 -0.645 . . . . 65.3 109.528 178.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -94.5 159.03 15.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.746 -0.661 . . . . 74.42 110.529 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -118.11 -168.89 1.59 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.159 -1.052 . . . . 75.31 108.159 168.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -103.76 -21.59 13.66 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.629 -0.429 . . . . 73.43 111.95 -175.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.5 t -100.95 -41.79 6.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.838 0.352 . . . . 70.44 111.22 -171.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.76 -105.76 2.8 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.64 -0.79 . . . . 62.34 112.237 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -157.63 -68.79 0.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.991 0.424 . . . . 75.32 110.517 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -117.19 124.18 48.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 54.44 111.047 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.604 HG22 ' HG ' ' A' ' 61' ' ' LEU . 12.1 m -111.91 6.91 8.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.351 0.596 . . . . 75.05 110.11 173.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.556 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -81.51 97.46 7.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.512 -0.767 . . . . 72.42 110.448 176.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.507 ' HB ' ' OD2' ' A' ' 74' ' ' ASP . 47.4 t -82.19 -41.58 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.571 -0.286 . . . . 60.25 110.646 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.8 mp 65.57 30.4 10.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.574 0.702 . . . . 63.1 111.281 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 t -116.4 11.2 14.88 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.462 -1.681 . . . . 73.41 106.462 166.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.507 ' OD2' ' HB ' ' A' ' 71' ' ' VAL . 1.2 p30 -135.35 -0.43 2.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 113.184 -1.825 . . . . 72.25 110.203 -173.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -61.06 -36.25 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 72.43 111.824 -173.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.39 14.92 20.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.152 0.501 . . . . 65.24 110.729 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.529 ' HB3' ' HD2' ' A' ' 78' ' ' PRO . 45.0 mmm-85 -106.09 165.13 13.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.229 -0.656 . . . . 61.24 109.229 178.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 77' ' ' ARG . 20.6 Cg_endo -62.29 110.79 1.11 Allowed 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 121.993 1.795 . . . . 74.13 111.759 174.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.535 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 50.5 tp -61.97 -27.93 69.2 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.113 -0.494 . . . . 75.53 111.164 -177.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.78 -22.47 64.33 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.261 -0.495 . . . . 73.41 112.741 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -78.98 -22.36 45.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.105 0.478 . . . . 75.05 109.992 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -80.04 -25.69 40.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 72.15 110.882 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.5 t 65.38 85.46 0.16 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 115.683 -0.69 . . . . 53.45 109.827 -174.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.535 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 6.1 Cg_exo -74.52 156.03 45.2 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 123.259 2.639 . . . . 61.31 113.258 -175.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -100.63 -176.03 3.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.303 -0.862 . . . . 74.11 110.048 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -107.2 8.25 29.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.684 0.278 . . . . 61.15 111.303 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -113.1 25.58 11.29 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.535 -0.841 . . . . 45.22 112.948 -178.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.545 ' HB3' HD13 ' A' ' 61' ' ' LEU . 14.0 m-30 -80.83 125.35 29.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.982 0.42 . . . . 74.22 111.33 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -108.11 116.32 31.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.02 -0.536 . . . . 74.43 110.759 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.464 HD11 HD13 ' A' ' 17' ' ' LEU . 95.9 mt -88.15 86.66 7.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.21 -0.45 . . . . 71.34 109.978 177.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -91.8 97.88 11.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.862 0.363 . . . . 54.41 110.075 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.24 126.61 27.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.754 -0.657 . . . . 74.41 110.496 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.3 mm -88.06 91.17 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.287 -0.635 . . . . 73.52 109.287 175.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -71.68 103.59 3.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.146 -0.934 . . . . 74.32 111.396 -178.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.9 mt -105.17 -161.98 0.85 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.893 -0.78 . . . . 72.0 108.893 173.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.464 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 8.8 p-10 -81.63 118.39 71.99 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.98 0.419 . . . . 72.41 110.695 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 12.2 Cg_endo . . . . . 0 N--CA 1.45 -1.05 0 C-N-CA 123.196 2.597 . . . . 73.52 111.562 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 N--CA 1.465 0.316 0 CA-C-O 120.96 0.409 . . . . 72.31 110.51 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.7 m -59.68 125.05 22.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.545 -0.752 . . . . 62.5 111.22 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.0 m -70.59 137.65 23.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.849 -0.614 . . . . 71.31 109.589 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -93.54 83.55 4.53 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.136 0.493 . . . . 74.14 110.155 -174.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.5 mt -96.6 106.07 18.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.825 -0.625 . . . . 75.21 110.008 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -79.78 126.12 30.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.178 -0.465 . . . . 71.21 110.941 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.507 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 76.7 mt -85.04 120.7 35.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.535 -0.757 . . . . 74.12 110.512 -178.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.502 ' HB ' ' HA ' ' A' ' 91' ' ' HIS . 5.1 m -96.72 92.71 6.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.838 -0.619 . . . . 72.52 109.375 177.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.56 ' HD1' ' HB2' ' A' ' 24' ' ' LEU . 7.8 t-160 -81.41 129.16 34.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.699 -0.682 . . . . 73.43 110.227 -176.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.02 -56.64 4.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.046 0.387 . . . . 72.33 112.046 -174.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -61.55 -61.74 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 74.23 111.554 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.56 ' HB2' ' HD1' ' A' ' 21' ' ' HIS . 7.9 mp -96.97 88.02 4.41 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.466 -0.568 . . . . 72.41 109.466 175.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -85.55 -6.23 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.949 -0.568 . . . . 72.13 111.746 -175.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 t -97.93 1.65 48.24 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.344 -0.613 . . . . 73.21 109.344 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -95.32 98.67 10.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.525 -0.761 . . . . 75.43 109.585 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.5 m -86.31 102.76 14.27 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.039 -0.528 . . . . 73.25 110.804 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -123.19 141.66 51.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.862 -0.608 . . . . 72.11 109.688 175.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -126.09 145.63 50.26 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.004 -0.369 . . . . 65.32 110.004 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.44 94.72 9.25 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.949 -0.569 . . . . 73.44 109.636 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -101.53 91.16 4.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.841 0.829 . . . . 73.14 110.456 -178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -130.89 150.62 51.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.518 -0.765 . . . . 71.21 109.911 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.442 ' C ' ' H ' ' A' ' 36' ' ' GLN . 31.7 m -65.1 135.41 96.27 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.091 -0.504 . . . . 74.05 109.898 177.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.561 ' HB2' ' N ' ' A' ' 80' ' ' GLY . 63.4 Cg_endo -71.53 20.89 0.25 Allowed 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.144 2.563 . . . . 65.31 113.398 -174.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' A' ' 34' ' ' SER . 66.2 mt-30 -88.26 -11.61 46.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.383 0.611 . . . . 73.5 109.633 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.422 ' HE3' ' HB ' ' A' ' 42' ' ' VAL . 26.2 ttt -95.98 146.95 24.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.251 -0.886 . . . . 73.52 110.192 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.3 p -98.06 149.3 22.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.18 -0.463 . . . . 71.35 110.527 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.466 ' O ' HG12 ' A' ' 42' ' ' VAL . 11.1 p -64.36 -22.12 30.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.358 0.599 . . . . 73.4 110.227 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -57.46 -35.92 70.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.597 -0.729 . . . . 54.1 111.226 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.71 -17.29 48.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.397 0.517 . . . . 75.23 112.397 -173.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 39' ' ' VAL . 9.3 p -92.76 -29.2 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.739 -0.384 . . . . 75.34 111.455 -176.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -61.99 -52.42 64.07 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.795 0.331 . . . . 65.55 111.127 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.04 -36.94 75.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.146 0.498 . . . . 70.34 110.862 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HB2' ' HE3' ' A' ' 45' ' ' LYS . 29.5 ttmt -66.87 -33.41 75.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.841 -0.618 . . . . 74.11 111.106 -176.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.4 mt -75.15 -42.18 56.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 64.42 110.326 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -58.35 -42.39 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.896 -0.593 . . . . 72.4 111.086 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.654 ' HB2' ' HZ1' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -81.37 -8.62 59.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.458 -0.337 . . . . 75.33 111.546 -176.781 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -98.99 -54.97 2.84 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.028 -0.269 . . . . 75.55 111.309 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 60.8 m -83.77 -36.49 23.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.433 -0.349 . . . . 73.23 111.371 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.15 -5.62 59.34 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.565 -0.826 . . . . 40.43 112.664 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.4 t -87.72 162.67 16.93 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.786 -0.45 . . . . 65.02 109.786 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 m -91.81 122.66 34.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.734 0.302 . . . . 75.42 111.239 -174.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.11 -15.85 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.324 -0.398 . . . . 73.03 111.278 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -71.15 -16.83 62.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.244 0.545 . . . . 74.41 110.188 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.7 m -107.0 4.27 26.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 61.12 110.249 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.836 ' HE1' HD22 ' A' ' 59' ' ' LEU . 25.7 ttt -85.54 100.9 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.88 -0.6 . . . . 71.12 110.484 -177.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.71 110.53 15.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 74.25 111.001 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.836 HD22 ' HE1' ' A' ' 57' ' ' MET . 94.6 mt -109.87 110.43 21.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 65.22 110.189 177.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.784 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 44.2 mt-10 -93.01 104.56 16.76 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.808 0.337 . . . . 74.23 110.324 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 70' ' ' ALA . 51.4 tp -85.31 94.09 8.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.974 -0.557 . . . . 74.41 109.754 178.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.569 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 16.9 m-85 -89.13 149.49 23.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.025 -0.534 . . . . 71.23 111.214 -178.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.427 ' HB3' HG12 ' A' ' 69' ' ' VAL . 4.5 p-10 -85.12 0.41 51.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.349 -0.841 . . . . 64.31 109.391 173.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.0 t70 89.19 -24.75 0.09 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.959 1.304 . . . . 71.03 112.054 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.3 p -78.88 -28.6 44.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.288 -0.565 . . . . 62.34 109.84 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.26 -3.92 2.51 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.826 -0.702 . . . . 75.11 112.434 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.4 m -101.09 142.7 32.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.78 0.324 . . . . 65.21 110.551 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -86.79 126.97 34.97 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.713 -0.477 . . . . 75.33 109.713 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.427 HG12 ' HB3' ' A' ' 63' ' ' ASP . 31.0 m -102.88 19.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.738 0.78 . . . . 73.14 110.036 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 61' ' ' LEU . . . -84.63 105.58 15.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.189 -0.914 . . . . 75.22 111.613 -177.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -111.08 -31.88 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.915 -0.584 . . . . 74.41 109.791 171.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.429 HD11 ' HA ' ' A' ' 72' ' ' LEU . 4.3 mm? 55.37 81.37 0.12 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.174 -0.921 . . . . 71.12 113.129 174.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.7 t -127.69 7.13 6.22 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.08 -0.711 . . . . 75.34 109.08 170.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -114.36 26.23 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.368 -0.833 . . . . 61.35 110.571 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -54.46 -51.8 63.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 71.44 111.135 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.2 m -99.27 5.69 46.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.742 -0.663 . . . . 74.53 111.482 -175.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -100.08 150.5 36.94 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.592 -0.276 . . . . 62.41 110.536 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.53 125.55 13.51 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.477 2.118 . . . . 70.12 111.311 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.7 tp -61.49 -24.82 66.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.332 -0.394 . . . . 74.41 111.521 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.561 ' N ' ' HB2' ' A' ' 35' ' ' PRO . . . -65.0 -31.1 79.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.264 -0.493 . . . . 64.4 112.459 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -73.99 -40.33 63.03 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.753 -0.462 . . . . 74.22 109.753 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -65.04 -42.87 93.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.596 -0.729 . . . . 64.34 110.037 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.1 t 63.33 89.72 0.1 Allowed Pre-proline 0 C--O 1.233 0.197 0 CA-C-N 115.401 -0.818 . . . . 74.14 110.55 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -80.93 159.6 21.05 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.569 2.179 . . . . 74.45 112.849 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -57.93 -25.53 61.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.495 -0.775 . . . . 74.31 111.785 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.9 t70 68.35 88.06 0.11 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.31 0.576 . . . . 72.54 110.204 -176.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 142.03 60.77 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.709 -0.678 . . . . 73.23 111.424 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -122.12 153.57 38.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.27 -0.27 . . . . 73.41 110.27 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.569 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 40.4 mmt180 -97.06 108.99 21.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.298 -0.41 . . . . 70.42 110.349 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.507 ' HB2' ' HA ' ' A' ' 19' ' ' ILE . 98.7 mt -83.29 85.65 7.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.711 -0.477 . . . . 72.32 109.711 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.784 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 12.1 t-80 -81.65 99.42 8.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.015 0.436 . . . . 55.51 110.258 -177.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.403 HG12 ' CD2' ' A' ' 59' ' ' LEU . 57.9 mt -86.12 119.87 35.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.753 -0.658 . . . . 61.24 109.883 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 95' ' ' LEU . 46.7 mm -82.0 112.6 20.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.185 -0.461 . . . . 64.54 110.22 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -79.56 72.11 6.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.198 0.523 . . . . 53.32 109.684 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.443 ' HB3' HG23 ' A' ' 93' ' ' ILE . 2.4 pt? -97.29 9.09 43.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.955 -0.566 . . . . 64.03 110.494 -178.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 18.2 t70 -82.24 107.62 9.3 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.684 -0.689 . . . . 72.5 110.192 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 9.5 Cg_endo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 123.322 2.681 . . . . 72.55 112.096 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.465 0.296 0 CA-C-O 120.298 0.094 . . . . 72.31 111.143 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 m -147.41 95.09 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.302 0.482 . . . . 62.5 112.302 -174.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.5 m -71.69 145.7 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.574 -0.899 . . . . 71.31 108.574 167.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -95.82 88.09 4.84 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.186 -0.606 . . . . 74.14 110.872 -174.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.596 ' HB3' HD13 ' A' ' 90' ' ' LEU . 98.0 mt -111.92 137.66 49.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 75.21 110.236 176.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -112.64 111.22 21.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.478 -0.328 . . . . 71.21 110.208 -177.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.512 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 68.3 mt -74.05 118.31 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.91 0.386 . . . . 74.12 110.443 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.581 ' HB ' ' HA ' ' A' ' 91' ' ' HIS . 5.4 m -116.57 108.94 16.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.025 -0.534 . . . . 72.52 110.653 -176.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.747 ' HD1' ' HB2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -87.83 151.98 22.45 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.341 -0.614 . . . . 73.43 109.341 179.219 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.99 -54.74 4.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.81 0.338 . . . . 72.33 111.621 -174.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -79.22 -32.09 43.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.162 0.506 . . . . 74.23 110.544 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.747 ' HB2' ' HD1' ' A' ' 21' ' ' HIS . 8.1 mp -99.81 83.35 2.73 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.036 -0.727 . . . . 72.41 109.036 173.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -75.87 -13.9 60.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.826 -0.625 . . . . 72.13 111.962 -172.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -109.67 27.14 9.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.324 0.583 . . . . 73.21 110.223 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.469 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 70.5 t80 -81.1 89.68 5.98 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.866 -0.606 . . . . 75.43 109.398 176.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -78.65 102.2 7.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.081 -0.509 . . . . 73.25 110.555 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.41 123.77 20.68 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.072 -0.513 . . . . 72.11 110.521 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -101.05 143.56 31.03 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.003 -0.544 . . . . 65.32 109.673 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.5 ' HB1' ' HB2' ' A' ' 17' ' ' LEU . . . -117.9 99.87 7.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.291 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -122.27 103.14 8.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.84 -0.618 . . . . 73.14 110.757 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -126.34 173.12 9.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.384 -0.825 . . . . 71.21 109.475 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.2 p -67.48 143.97 97.5 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.596 -0.274 . . . . 74.05 110.413 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.559 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 34.8 Cg_endo -65.34 -2.77 6.44 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.984 2.456 . . . . 65.31 112.905 -177.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.412 ' HA ' ' HB3' ' A' ' 78' ' ' PRO . 74.9 mt-30 -85.47 -7.53 58.86 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.079 0.466 . . . . 73.5 110.421 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.1 ttt -82.79 151.07 26.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.849 -0.614 . . . . 73.52 110.32 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.434 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 23.9 p -120.71 164.6 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.218 -0.446 . . . . 71.35 109.992 176.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.49 -21.22 28.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 121.508 0.671 . . . . 73.4 110.036 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -54.27 -36.65 63.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.234 -0.894 . . . . 54.1 111.043 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.23 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.546 . . . . 75.23 111.745 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.2 p -82.96 -28.73 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.569 -0.452 . . . . 75.34 110.213 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -62.64 -54.06 45.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 65.55 110.226 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.64 -35.01 75.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.677 -0.692 . . . . 70.34 110.69 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -62.78 -53.69 50.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.94 -0.573 . . . . 74.11 110.835 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.85 -28.34 64.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 64.42 110.936 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -55.13 -53.78 51.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 72.4 111.097 176.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.785 ' HZ2' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -90.42 9.79 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 75.33 111.129 -178.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -100.7 -53.04 3.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.068 0.461 . . . . 75.55 110.043 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 79.6 m -100.39 -21.86 15.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.051 -0.522 . . . . 73.23 111.408 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.06 40.49 93.11 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.524 -0.846 . . . . 40.43 111.905 -178.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -105.87 172.31 6.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.914 0.388 . . . . 65.02 110.435 -176.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.9 m -85.04 135.16 34.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.093 -0.503 . . . . 75.42 110.366 -177.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 m -71.55 -28.01 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 73.03 111.972 -176.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.89 -26.87 63.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.24 0.543 . . . . 74.41 110.116 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.8 m -79.47 -9.64 59.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.661 -0.7 . . . . 61.12 110.677 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.496 ' HE3' HD22 ' A' ' 59' ' ' LEU . 27.9 ttt -95.0 85.19 4.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.055 0.455 . . . . 71.12 110.303 -178.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.1 109.41 20.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.843 -0.617 . . . . 74.25 110.213 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.496 HD22 ' HE3' ' A' ' 57' ' ' MET . 94.1 mt -89.85 105.06 17.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.064 -0.516 . . . . 65.22 110.143 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.651 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 50.1 mm-40 -78.56 86.49 4.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.924 -0.58 . . . . 74.23 110.324 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.487 ' HG ' HG21 ' A' ' 69' ' ' VAL . 31.0 tp -89.43 104.13 16.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.541 -0.754 . . . . 74.41 110.087 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 60' ' ' GLU . 50.9 m-85 -102.18 151.44 22.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.99 -0.55 . . . . 71.23 110.561 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -84.24 -2.14 56.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.058 -0.519 . . . . 64.31 109.682 173.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.0 t70 81.28 -2.06 1.71 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.64 -1.164 . . . . 71.03 111.63 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 m -96.73 -38.42 9.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.687 -0.486 . . . . 62.34 109.687 173.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.32 -11.1 0.88 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 75.11 112.568 178.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.8 m -92.13 131.82 37.09 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.054 0.454 . . . . 65.21 110.601 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -71.27 127.97 34.34 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.212 0.53 . . . . 75.33 109.653 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.487 HG21 ' HG ' ' A' ' 61' ' ' LEU . 29.6 m -113.96 17.87 7.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-O 121.588 0.709 . . . . 73.14 109.701 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.455 ' HB1' ' HB3' ' A' ' 61' ' ' LEU . . . -84.01 60.51 5.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.072 -0.967 . . . . 75.22 111.536 -177.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.05 87.46 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.083 0.944 . . . . 74.41 109.36 173.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 1.008 ' HB3' ' HB3' ' A' ' 75' ' ' ASP . 3.0 mm? -90.68 82.81 5.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.473 -0.785 . . . . 71.12 111.274 -172.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.4 t -84.79 -30.51 24.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.725 -0.67 . . . . 75.34 109.412 173.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -103.58 27.42 7.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.401 -0.818 . . . . 61.35 109.753 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 1.008 ' HB3' ' HB3' ' A' ' 72' ' ' LEU . 20.0 p-10 -61.61 -27.29 68.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.674 -0.693 . . . . 71.44 111.472 -177.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 p -98.29 14.77 26.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.929 -0.578 . . . . 74.53 111.178 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -129.35 161.08 60.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.982 -0.377 . . . . 62.41 109.982 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.412 ' HB3' ' HA ' ' A' ' 36' ' ' GLN . 51.0 Cg_exo -55.8 125.91 20.66 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.508 2.139 . . . . 70.12 112.434 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.9 tp -60.59 -34.59 74.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.176 0.512 . . . . 74.41 111.183 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.559 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -70.92 -14.9 73.63 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.78 -0.646 . . . . 64.4 113.01 -177.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -70.11 -45.02 67.77 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.583 -0.525 . . . . 74.22 109.583 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -75.6 -40.35 56.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.828 -0.624 . . . . 64.34 110.271 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.5 m 62.01 88.82 0.11 Allowed Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 115.758 -0.656 . . . . 74.14 110.697 -178.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.645 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . 2.8 Cg_endo -80.96 -169.02 0.71 Allowed 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.003 2.469 . . . . 74.45 112.328 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 86.0 t80 -64.8 -31.92 73.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.259 -0.428 . . . . 74.31 110.835 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' A' ' 85' ' ' PHE . 14.4 t70 72.48 132.61 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.861 0.726 . . . . 72.54 111.472 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.92 44.15 3.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 73.23 112.019 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.645 ' HE2' ' HB2' ' A' ' 84' ' ' PRO . 73.3 m-85 -92.4 166.28 12.64 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.281 0.562 . . . . 73.41 111.807 -175.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -94.47 115.82 28.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.256 -0.884 . . . . 70.42 110.059 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.596 HD13 ' HB3' ' A' ' 17' ' ' LEU . 92.4 mt -89.53 74.72 7.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.506 -0.553 . . . . 72.32 109.506 174.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 12.2 t-160 -81.66 102.76 10.9 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.116 0.484 . . . . 55.51 110.739 -175.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.2 mt -88.09 125.6 41.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.577 -0.738 . . . . 61.24 109.888 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.3 mm -78.28 111.22 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.294 -0.412 . . . . 64.54 110.353 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -84.07 93.17 8.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.95 0.405 . . . . 53.32 109.99 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -123.71 6.05 8.82 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.118 -0.492 . . . . 64.03 110.663 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 6.9 p-10 -82.48 116.71 65.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.393 0.616 . . . . 72.5 110.484 -176.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 57.7 Cg_endo . . . . . 0 C--O 1.251 1.172 0 C-N-CA 123.138 2.559 . . . . 72.55 112.066 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.034 0.445 . . . . 53.44 110.268 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.8 p -77.7 106.77 9.73 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.826 -0.624 . . . . 73.02 110.047 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.36 153.67 6.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.014 0.435 . . . . 63.02 110.961 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.5 ' HB2' ' HB2' ' A' ' 86' ' ' ASP . 34.5 m80 -108.53 152.84 24.19 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.301 -0.629 . . . . 72.32 109.301 178.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.56 ' HB2' ' HB2' ' A' ' 30' ' ' ASP . 95.6 mt -116.57 -154.12 0.54 Allowed 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 108.885 -0.783 . . . . 64.34 108.885 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.6 95.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.373 -0.603 . . . . 75.44 109.373 171.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.1 mt -80.93 133.21 29.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.844 -0.617 . . . . 71.54 109.976 -177.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.0 m -143.47 147.42 34.52 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.451 -0.574 . . . . 74.42 109.451 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -116.96 177.85 4.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.918 0.389 . . . . 74.54 110.84 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.95 -32.89 15.09 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.822 -0.807 . . . . 61.45 108.822 171.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -66.15 -58.31 5.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.867 -1.06 . . . . 73.04 109.634 171.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 27' ' ' PHE . 94.8 mt -86.82 97.13 10.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.536 -0.757 . . . . 71.22 110.202 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -69.67 -58.67 3.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.86 -0.609 . . . . 72.15 110.222 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.7 m -82.09 85.46 6.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.806 -0.634 . . . . 75.14 109.861 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.413 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 26.0 t80 -144.2 106.01 4.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.2 -178.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.5 m -127.6 78.38 1.82 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.871 -0.604 . . . . 71.53 110.163 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.91 147.94 44.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.61 -0.723 . . . . 54.34 109.681 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.56 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 4.9 p-10 -166.05 176.55 7.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.078 0.466 . . . . 74.31 110.633 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.81 128.21 46.22 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.54 -0.754 . . . . 75.45 110.382 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -68.65 122.7 19.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.776 -0.647 . . . . 55.33 110.78 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -128.29 -173.58 2.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.855 -0.611 . . . . 73.21 110.686 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.5 p -90.35 149.36 40.97 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.458 -0.792 . . . . 72.42 110.152 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.412 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 56.5 Cg_endo -71.59 4.84 2.74 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.524 2.149 . . . . 61.55 112.018 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.563 ' HA ' ' HB3' ' A' ' 78' ' ' PRO . 48.2 mt-30 -101.84 6.62 41.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 63.32 110.888 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 57.5 ttp -76.53 107.75 9.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.963 -0.562 . . . . 74.13 109.949 176.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 10.7 p -84.54 143.68 29.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.25 -0.432 . . . . 65.35 110.89 -178.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.438 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 42.4 t -62.72 -28.51 45.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.178 0.514 . . . . 64.02 110.897 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -68.0 -40.54 82.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.241 -0.436 . . . . 60.42 109.941 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.08 -39.46 72.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 74.42 111.693 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.0 p -67.42 -28.62 42.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.679 0.276 . . . . 55.34 111.087 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 98.7 mttt -61.17 -46.0 92.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.81 0.338 . . . . 75.14 110.563 177.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -69.16 -30.35 68.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 62.31 110.878 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -72.89 -31.19 64.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.861 0.363 . . . . 74.54 110.467 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.37 -39.85 58.72 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.556 -0.535 . . . . 71.12 109.556 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -58.96 -36.13 74.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.493 -0.776 . . . . 74.21 110.665 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -86.91 12.88 10.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 75.33 111.95 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -129.26 -49.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.937 0.398 . . . . 74.41 110.839 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.2 m -91.4 -34.01 15.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.112 -0.495 . . . . 71.21 111.053 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.13 4.76 86.71 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.7 -0.762 . . . . 52.24 111.974 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.4 m -96.38 138.36 34.09 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.326 -0.25 . . . . 71.35 110.326 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.7 m -69.87 140.63 53.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.947 -0.39 . . . . 63.2 109.947 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -75.24 9.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 112.542 0.571 . . . . 73.52 112.542 -172.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.1 -30.26 67.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.973 0.416 . . . . 75.22 110.587 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 m -85.94 11.32 11.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.955 -0.566 . . . . 54.44 111.298 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.4 ttp -128.19 108.24 10.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.821 0.343 . . . . 55.24 110.8 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.536 ' HB2' ' HB ' ' A' ' 93' ' ' ILE . . . -99.19 121.79 41.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.163 -0.472 . . . . 64.21 110.299 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 81.0 mt -99.51 111.4 23.76 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.503 0.668 . . . . 74.22 110.597 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -104.84 112.52 25.66 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.913 -1.039 . . . . 74.12 109.397 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 88' ' ' PHE . 48.1 tp -94.08 118.45 31.55 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.394 -0.366 . . . . 65.3 111.136 -174.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.569 ' HA ' ' O ' ' A' ' 67' ' ' SER . 24.0 m-85 -97.99 141.67 30.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.799 -0.637 . . . . 74.42 110.86 176.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.51 175.5 5.47 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.385 -0.969 . . . . 75.31 108.385 169.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -97.56 -7.09 32.06 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.389 0.515 . . . . 73.43 112.389 -170.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.7 p -110.55 -33.03 6.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.909 0.385 . . . . 70.44 111.513 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.78 -113.17 3.08 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.753 -0.737 . . . . 62.34 111.998 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.569 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 50.2 m -152.02 -81.45 0.1 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.767 0.318 . . . . 75.32 110.906 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -99.09 122.0 41.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.88 0.371 . . . . 54.44 110.946 -175.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 m -127.91 41.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.15 0.5 . . . . 75.05 110.724 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.29 111.26 12.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.086 -0.506 . . . . 72.42 111.759 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.3 t -94.41 -71.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.489 -0.56 . . . . 60.25 109.489 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.7 tp 66.92 21.83 10.27 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.917 -0.583 . . . . 63.1 111.61 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -119.18 4.37 11.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.602 -0.888 . . . . 73.41 108.602 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -101.49 13.99 33.31 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.431 -1.259 . . . . 72.25 110.539 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.409 ' CB ' ' HB ' ' A' ' 39' ' ' VAL . 8.2 p-10 -63.91 -23.95 67.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.529 -0.759 . . . . 72.43 112.884 -171.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.7 m -94.4 3.2 55.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.926 0.393 . . . . 65.24 111.366 -178.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -121.95 160.36 47.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.672 -0.492 . . . . 61.24 109.672 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.563 ' HB3' ' HA ' ' A' ' 36' ' ' GLN . 19.8 Cg_exo -67.3 133.17 29.63 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.086 1.857 . . . . 74.13 110.432 171.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.87 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 35.8 tp -60.53 -29.25 69.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.275 0.559 . . . . 75.53 110.809 -178.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.412 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -67.52 -16.39 67.44 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.912 -0.585 . . . . 73.41 112.708 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -69.24 -30.52 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.117 0.484 . . . . 75.05 109.916 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -86.62 -25.82 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.7 -0.682 . . . . 72.15 109.695 175.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.6 m 65.58 83.45 0.19 Allowed Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 114.949 -1.023 . . . . 53.45 111.182 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.87 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 57.6 Cg_endo -95.09 -164.73 0.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.105 2.537 . . . . 61.31 112.794 -178.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.522 ' H ' ' HE2' ' A' ' 88' ' ' PHE . 96.8 m-85 -112.96 175.87 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 74.11 109.743 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.5 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . 2.2 p-10 -110.51 4.83 20.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.208 0.528 . . . . 61.15 110.101 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.98 21.4 36.07 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.854 -0.688 . . . . 45.22 112.85 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.522 ' HE2' ' H ' ' A' ' 85' ' ' PHE . 35.5 m-85 -80.64 146.51 31.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.823 0.344 . . . . 74.22 110.25 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -115.53 116.09 27.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.052 0.453 . . . . 74.43 110.372 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.405 ' N ' HD13 ' A' ' 90' ' ' LEU . 6.6 mp -87.87 100.56 12.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.742 -0.663 . . . . 71.34 110.233 -177.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -87.23 96.05 10.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.181 0.515 . . . . 54.41 109.902 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 67.9 mt -76.53 114.12 16.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.66 -0.7 . . . . 74.41 109.676 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 58' ' ' ALA . 45.5 mm -74.22 110.4 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.975 -0.557 . . . . 73.52 109.98 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.33 99.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.954 -0.566 . . . . 74.32 110.159 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.8 mt -100.87 -163.69 1.04 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.683 -0.689 . . . . 72.0 109.781 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -113.98 107.56 52.05 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 121.294 0.569 . . . . 72.41 110.801 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.773 2.315 . . . . 73.52 111.191 175.656 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 CA--C 1.515 -0.369 0 CA-C-O 121.155 0.502 . . . . 72.13 110.133 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 m -152.53 153.53 33.63 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.605 -0.725 . . . . 74.42 110.137 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 35.1 m -86.42 153.76 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.271 -0.64 . . . . 71.31 109.271 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.444 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 48.0 m80 -98.5 91.1 5.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.27 0.557 . . . . 72.31 110.922 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.92 113.64 16.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.601 -0.727 . . . . 72.4 109.644 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -93.18 94.32 8.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.03 0.443 . . . . 72.51 110.456 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 28' ' ' SER . 58.6 mt -69.63 117.91 13.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.865 -0.607 . . . . 73.32 110.312 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.536 ' O ' ' HA ' ' A' ' 91' ' ' HIS . 10.6 m -122.33 125.74 46.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.231 -0.441 . . . . 74.01 110.051 -178.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.568 ' HD2' ' HB ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -84.61 165.01 18.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.643 0.259 . . . . 72.14 110.872 -178.282 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.0 -38.66 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 71.33 110.364 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -75.29 -63.97 1.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.312 -0.625 . . . . 72.05 109.312 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -87.78 92.64 9.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.946 -0.57 . . . . 65.1 109.782 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -67.85 -27.96 67.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.071 0.462 . . . . 55.15 110.411 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.1 m -69.52 -16.17 63.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.941 -0.572 . . . . 75.02 111.099 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.519 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 92.8 t80 -75.53 106.28 7.0 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.269 0.557 . . . . 75.4 109.907 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 41.2 m -137.99 114.57 10.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.421 -0.809 . . . . 72.1 109.44 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.46 ' HB2' ' HB ' ' A' ' 19' ' ' ILE . . . -113.8 116.04 28.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.183 -0.462 . . . . 72.05 111.295 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -81.3 102.85 10.67 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.294 -0.632 . . . . 72.3 109.294 174.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -112.93 118.77 35.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.27 -0.423 . . . . 51.55 111.374 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 10.0 ptm180 -89.56 115.39 26.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.078 -0.51 . . . . 52.33 111.038 178.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -133.88 141.41 47.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.889 -0.596 . . . . 70.33 109.886 175.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -63.67 143.91 97.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.554 -0.294 . . . . 71.54 110.683 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.551 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 36.2 Cg_endo -64.46 -5.76 10.6 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.079 2.519 . . . . 74.31 113.074 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.52 -13.43 59.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.186 0.517 . . . . 72.25 110.419 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.5 ttt -88.02 146.32 25.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.846 -0.616 . . . . 72.11 109.78 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 p -102.06 163.04 12.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.282 -0.417 . . . . 52.14 110.81 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.505 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 41.4 t -65.81 -34.4 70.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.211 0.529 . . . . 61.33 109.611 176.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -51.78 -44.86 63.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.025 -0.988 . . . . 74.0 111.176 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.47 -33.14 75.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 64.13 111.336 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -74.02 -40.95 52.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.182 0.515 . . . . 72.13 110.021 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -61.17 -30.75 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.452 -0.794 . . . . 55.41 111.552 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 17.5 tt0 -52.77 -49.59 65.25 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.012 0.434 . . . . 54.13 110.803 176.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -68.28 -35.05 77.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.594 -0.73 . . . . 64.04 111.44 -172.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.99 -36.74 59.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.008 0.432 . . . . 75.01 110.474 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -64.12 -58.13 7.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.733 -0.667 . . . . 75.31 111.411 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 61.3 pttt -72.9 -6.08 42.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.856 0.36 . . . . 55.23 111.716 -174.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -77.15 -34.6 56.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.364 0.602 . . . . 63.42 109.822 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.7 m -103.46 -49.38 3.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.502 -0.772 . . . . 54.21 111.829 -171.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.88 29.1 35.75 Favored Glycine 0 N--CA 1.453 -0.197 0 N-CA-C 110.858 -0.897 . . . . 74.02 110.858 -172.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.8 m -100.54 157.95 16.28 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.268 -0.466 . . . . 71.32 110.012 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.8 m -55.07 137.0 47.51 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 110.168 -0.308 . . . . 72.13 110.168 176.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.1 p -67.29 -23.29 30.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.87 0.367 . . . . 73.02 111.167 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -77.02 -25.85 53.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.007 0.432 . . . . 43.22 110.661 178.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.437 ' HB3' ' HB2' ' A' ' 96' ' ' ASP . 17.0 m -73.72 -24.76 59.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.063 0.458 . . . . 64.24 110.379 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 48.8 ttp -92.18 83.53 5.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.757 -0.656 . . . . 62.41 109.892 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.532 ' HB1' ' HB ' ' A' ' 93' ' ' ILE . . . -89.05 138.56 31.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.823 -0.626 . . . . 64.31 110.215 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.527 ' HG ' HD13 ' A' ' 92' ' ' ILE . 5.9 tt -123.29 120.2 32.38 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.99 -0.744 . . . . 72.04 108.99 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.647 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 38.5 mm-40 -96.14 107.83 20.2 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.795 -0.446 . . . . 74.12 109.795 177.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.1 tp -73.5 87.73 1.61 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.283 0.563 . . . . 74.43 109.796 177.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -95.9 119.76 34.98 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.148 0.795 . . . . 72.34 113.148 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -76.8 145.38 38.52 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.11 -1.811 . . . . 74.41 106.11 157.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -79.75 62.97 4.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.832 0.825 . . . . 73.44 110.81 -171.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.7 m -123.66 -37.1 2.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.476 -1.238 . . . . 62.11 109.606 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.54 -54.06 0.45 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.775 -0.726 . . . . 55.11 112.508 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.5 t -96.74 165.19 12.24 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.04 0.448 . . . . 63.0 110.528 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -80.26 139.49 36.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.82 -0.627 . . . . 74.5 109.833 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.1 m -87.86 -1.5 8.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.821 0.343 . . . . 62.03 111.645 -176.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -147.32 150.46 34.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.702 0.287 . . . . 72.21 111.053 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.94 -17.92 20.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.437 0.637 . . . . 72.43 109.91 174.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 21.5 tp 64.18 20.17 12.07 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.128 -0.942 . . . . 65.41 111.706 175.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.9 m -82.98 2.02 36.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.336 -0.987 . . . . 53.35 108.336 169.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -100.91 24.42 9.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 113.973 -1.467 . . . . 72.33 108.982 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.505 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 11.6 p-10 -71.23 -15.74 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 73.21 111.51 -173.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 t -87.78 -3.13 58.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.271 0.558 . . . . 71.32 109.681 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -89.67 145.69 34.06 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.932 -0.576 . . . . 73.5 110.235 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -67.37 135.87 38.11 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.541 2.161 . . . . 73.15 111.207 173.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.3 mt -56.65 -36.15 69.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.228 -0.442 . . . . 70.52 112.184 -175.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.551 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -76.55 -10.97 85.58 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 121.234 -0.508 . . . . 72.31 112.72 -177.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -103.25 -0.61 30.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.681 0.753 . . . . 74.33 109.086 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -104.25 -63.87 1.16 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.315 -0.857 . . . . 73.21 109.858 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 16.3 p -175.26 105.11 0.26 Allowed Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.506 177.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 83' ' ' SER . 4.1 Cg_exo -80.08 71.28 7.13 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 123.318 2.679 . . . . 72.42 112.15 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -66.07 -62.12 1.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.775 -0.648 . . . . 72.35 111.176 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.9 t70 178.46 -56.88 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.373 0.606 . . . . 75.11 109.756 -176.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.444 ' HA3' ' O ' ' A' ' 16' ' ' HIS . . . 167.22 98.37 0.12 Allowed Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.206 -0.906 . . . . 54.21 111.206 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -71.39 161.06 31.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.951 0.405 . . . . 75.23 110.511 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -86.04 107.53 17.84 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.263 -0.643 . . . . 74.04 109.263 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 19' ' ' ILE . 81.6 mt -74.44 88.56 2.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.899 -0.591 . . . . 75.53 109.591 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 12.1 t-80 -82.44 94.79 7.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.105 0.479 . . . . 71.53 110.215 -177.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.568 ' HB ' ' HD2' ' A' ' 21' ' ' HIS . 47.1 mm -74.31 117.04 17.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.479 -0.782 . . . . 75.15 109.707 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.532 ' HB ' ' HB1' ' A' ' 58' ' ' ALA . 47.2 mm -81.22 107.0 13.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.128 -0.487 . . . . 72.21 110.187 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -72.61 67.68 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.159 -0.682 . . . . 62.51 109.159 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.1 tp -75.95 -43.31 45.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 75.14 110.685 -175.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.494 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 15.0 t70 -83.07 115.05 56.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.072 -0.513 . . . . 71.31 109.663 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 5.9 Cg_exo . . . . . 0 C--O 1.25 1.119 0 C-N-CA 123.236 2.624 . . . . 72.15 112.475 -175.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 121.702 0.763 . . . . 53.44 110.246 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.487 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 56.4 p -169.73 133.07 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.935 -0.575 . . . . 73.02 110.64 -177.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.681 HG12 ' HG2' ' A' ' 84' ' ' PRO . 18.6 m -121.35 134.33 65.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.996 0.427 . . . . 63.02 111.063 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -85.64 107.08 17.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.231 -0.441 . . . . 72.32 111.313 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.2 mt -87.21 100.04 12.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.575 -0.898 . . . . 64.34 108.575 171.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.574 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 71.0 m-70 -76.6 101.1 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.778 -0.646 . . . . 75.44 110.332 -172.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.2 mt -86.98 136.18 23.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.02 -0.537 . . . . 71.54 110.623 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.2 m -140.51 142.37 35.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.299 -0.41 . . . . 74.42 110.007 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 1.9 t-160 -93.02 151.79 19.68 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.59 -0.522 . . . . 74.54 109.59 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' A' ' 93' ' ' ILE . . . -72.19 -53.99 11.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.86 0.362 . . . . 61.45 111.263 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -75.33 -14.9 60.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.236 -0.438 . . . . 73.04 111.277 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.493 ' HB3' ' HB3' ' A' ' 21' ' ' HIS . 44.6 tp -120.58 100.47 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 71.22 110.464 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -67.6 -44.8 77.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.724 -0.671 . . . . 72.15 110.978 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 t -86.63 90.72 8.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.017 0.437 . . . . 75.14 109.836 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -133.54 95.37 3.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.824 -0.626 . . . . 74.22 110.182 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.8 m -103.4 86.9 2.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.099 0.476 . . . . 71.53 110.42 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.92 32.2 0.69 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.926 -0.579 . . . . 54.34 111.134 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.508 ' CB ' ' HA ' ' A' ' 18' ' ' HIS . 4.3 p-10 -77.86 155.79 30.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.999 0.428 . . . . 74.31 109.927 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.61 158.84 43.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.143 -0.481 . . . . 75.45 111.126 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.487 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 11.8 ptt180 -89.75 108.62 19.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.781 -0.645 . . . . 55.33 109.508 173.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -98.17 160.41 14.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.135 -0.484 . . . . 73.21 111.254 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.3 m -81.16 118.54 72.78 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.478 -0.783 . . . . 72.42 109.61 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.455 ' HB2' ' CA ' ' A' ' 80' ' ' GLY . 20.7 Cg_endo -61.22 -19.98 66.03 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.053 2.502 . . . . 61.55 114.018 -174.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -71.34 1.9 5.57 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.839 -0.538 . . . . 63.32 112.032 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 57.4 ttp -97.99 134.95 40.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.678 -0.49 . . . . 74.13 109.678 173.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.0 p -83.2 151.6 25.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.9 0.381 . . . . 65.35 110.83 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 43.4 t -68.84 -29.07 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.283 0.563 . . . . 64.02 109.891 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.506 ' HB2' ' HA ' ' A' ' 76' ' ' SER . 45.5 tt0 -62.5 -40.44 96.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.864 -0.607 . . . . 60.42 110.418 175.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.3 87.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.104 -0.498 . . . . 74.42 111.454 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.488 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.7 p -75.11 -30.65 23.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.617 -0.433 . . . . 55.34 110.826 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 93.8 mttt -61.24 -51.34 69.37 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.12 -0.696 . . . . 75.14 109.12 173.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 30.0 tt0 -57.16 -45.86 83.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.861 -1.063 . . . . 62.31 110.801 178.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -63.12 -37.55 87.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.851 -0.613 . . . . 74.54 111.434 -176.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.6 mt -75.67 -37.39 59.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.1 0.476 . . . . 71.12 110.415 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -60.47 -43.35 97.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.889 -0.596 . . . . 74.21 110.559 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.469 ' HZ1' ' HB3' ' A' ' 48' ' ' LYS . 9.5 mtpm? -62.08 -19.96 63.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.013 -0.54 . . . . 75.33 111.419 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -86.88 -52.0 5.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.449 -0.341 . . . . 74.41 111.256 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.4 m -99.64 -39.31 8.34 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.528 0.566 . . . . 71.21 112.528 -173.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.91 22.24 39.63 Favored Glycine 0 N--CA 1.454 -0.127 0 C-N-CA 120.539 -0.838 . . . . 52.24 112.113 -174.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.9 m -90.21 134.58 34.2 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.202 -0.295 . . . . 71.35 110.202 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 m -53.48 133.65 40.78 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.39 -0.368 . . . . 63.2 111.067 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.26 -16.07 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 112.15 0.426 . . . . 73.52 112.15 -173.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -81.51 -28.29 34.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.851 0.358 . . . . 75.22 110.279 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.7 m -75.46 -25.79 57.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.409 0.624 . . . . 54.44 109.86 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.4 ttp -89.64 71.43 7.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.627 -0.715 . . . . 55.24 109.188 174.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.444 ' HB1' ' HB ' ' A' ' 93' ' ' ILE . . . -82.96 125.09 31.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.39 -0.823 . . . . 64.21 111.226 -176.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.5 mt -110.57 97.4 6.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.281 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.65 111.95 13.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.941 0.401 . . . . 74.12 110.237 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 88' ' ' PHE . 34.0 tp -78.52 101.43 7.36 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.794 -0.639 . . . . 65.3 110.035 178.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -90.01 118.7 29.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.979 -0.555 . . . . 74.42 110.03 177.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -81.44 153.92 26.65 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.994 -0.743 . . . . 75.31 108.994 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -94.11 55.14 2.01 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.354 0.597 . . . . 73.43 110.382 -176.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -161.25 -54.9 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.779 -0.646 . . . . 70.44 110.044 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.43 -92.18 1.74 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.204 -0.522 . . . . 62.34 112.376 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -164.28 -75.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.739 0.305 . . . . 75.32 111.065 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -124.0 126.33 46.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.424 -0.353 . . . . 54.44 110.765 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 m -122.64 74.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.552 0.692 . . . . 75.05 110.835 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.61 94.7 5.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.756 -0.656 . . . . 72.42 111.383 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.1 t -93.11 -41.44 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.092 -0.707 . . . . 60.25 109.092 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.9 tp 61.61 37.98 15.75 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.842 -1.072 . . . . 63.1 111.427 174.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.8 t -127.26 4.36 6.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 122.104 0.954 . . . . 73.41 108.562 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -118.59 -9.61 10.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.592 -1.186 . . . . 72.25 110.333 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.461 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 9.5 p-10 -76.97 -28.18 55.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.473 -0.785 . . . . 72.43 110.6 -175.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 9.7 m -89.56 14.41 11.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.828 -0.624 . . . . 65.24 110.287 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.4 mmm-85 -121.27 157.47 55.73 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.032 -0.729 . . . . 61.24 109.032 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -59.2 117.77 4.56 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 121.838 1.692 . . . . 74.13 110.368 172.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.55 ' O ' ' HD3' ' A' ' 84' ' ' PRO . 14.8 tp -62.36 -24.67 67.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.42 -0.354 . . . . 75.53 110.704 -172.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.455 ' CA ' ' HB2' ' A' ' 35' ' ' PRO . . . -66.64 -36.84 91.92 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.424 -0.417 . . . . 73.41 112.102 176.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -68.09 -36.99 80.69 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.569 -0.53 . . . . 75.05 109.569 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -69.06 -30.84 69.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.41 -0.813 . . . . 72.15 110.334 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.6 t 66.13 91.17 0.08 OUTLIER Pre-proline 0 C--N 1.333 -0.112 0 CA-C-N 115.559 -0.746 . . . . 53.45 110.029 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.681 ' HG2' HG12 ' A' ' 15' ' ' VAL . 83.7 Cg_endo -83.49 154.81 13.98 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.465 2.11 . . . . 61.31 112.227 -175.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -117.8 142.45 47.27 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.099 -0.5 . . . . 74.11 109.803 177.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -75.84 89.99 2.91 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.231 0.539 . . . . 61.15 110.638 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.52 30.09 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.88 -0.676 . . . . 45.22 111.926 177.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.501 ' HB3' HD13 ' A' ' 61' ' ' LEU . 93.3 m-85 -131.03 151.18 51.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.668 0.27 . . . . 74.22 110.418 -178.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.574 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 79.1 mtt85 -124.16 134.36 53.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.323 -0.398 . . . . 74.43 110.878 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.3 mt -95.09 101.39 13.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.745 -0.661 . . . . 71.34 109.768 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -89.97 101.06 13.76 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.081 -0.34 . . . . 54.41 110.081 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 45.0 mt -69.57 106.61 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.839 -0.619 . . . . 74.41 109.938 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.488 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 47.1 mm -79.71 121.5 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.352 -0.386 . . . . 73.52 110.476 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.64 96.95 5.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.087 -0.506 . . . . 74.32 110.325 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.4 mt -103.51 -168.07 1.46 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.324 -0.398 . . . . 72.0 110.029 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.494 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 8.1 p-10 -92.78 141.39 24.32 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.829 -0.623 . . . . 72.41 110.911 -178.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 9.8 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 123.533 2.822 . . . . 73.52 112.582 -177.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--O 1.234 0.262 0 N-CA-C 109.035 -0.728 . . . . 71.53 109.035 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.519 ' HB3' ' HB2' ' A' ' 32' ' ' ARG . 62.0 m -155.41 121.46 5.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.716 0.293 . . . . 52.35 110.884 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.673 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 29.8 m -77.12 132.8 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.326 -0.397 . . . . 72.33 110.483 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.427 ' HB2' ' HA3' ' A' ' 87' ' ' GLY . 34.3 m80 -89.22 88.25 7.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.347 -0.388 . . . . 72.41 111.738 -172.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.474 HD11 ' HD2' ' A' ' 33' ' ' PHE . 88.6 mt -84.78 100.53 11.59 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.538 -0.542 . . . . 64.25 109.538 175.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.516 ' HB2' ' HD3' ' A' ' 89' ' ' ARG . 38.3 m-70 -80.54 111.0 16.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.95 -0.568 . . . . 74.43 110.01 -176.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.4 mm -83.49 108.11 15.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.959 0.409 . . . . 52.42 110.577 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 m -118.28 145.67 44.88 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.05 -0.523 . . . . 60.21 110.057 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.424 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 20.8 m-70 -120.07 177.14 5.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.052 0.453 . . . . 73.13 111.304 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.99 -32.96 7.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.378 -0.828 . . . . 44.21 108.915 171.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -69.31 -34.44 74.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.424 -0.807 . . . . 72.41 109.203 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mp -115.09 101.94 9.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.051 -0.977 . . . . 72.41 108.575 173.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -55.73 -31.89 62.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.7 -0.682 . . . . 72.15 112.137 -174.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.9 t -139.73 99.9 3.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.223 -0.658 . . . . 75.4 109.223 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -99.31 122.91 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.905 -0.589 . . . . 74.2 110.148 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 p -80.61 91.84 5.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.994 -0.548 . . . . 64.23 110.891 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -164.17 109.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.132 -0.486 . . . . 73.23 110.996 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -109.86 102.06 10.86 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.454 -0.573 . . . . 71.44 109.454 173.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.05 91.14 8.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.254 -0.43 . . . . 71.1 110.619 -176.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.673 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 11.0 ptt180 -93.44 108.92 20.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.442 0.639 . . . . 71.11 110.233 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.474 ' HD2' HD11 ' A' ' 17' ' ' LEU . 74.0 m-85 -104.31 178.15 4.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.657 -0.701 . . . . 75.41 111.477 -175.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.0 p -82.83 145.79 51.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.301 -0.863 . . . . 61.02 110.862 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -57.7 150.29 62.78 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.224 2.616 . . . . 42.4 113.135 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.53 ' HA ' ' H ' ' A' ' 80' ' ' GLY . 37.2 mt-30 65.17 21.68 12.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.217 -0.901 . . . . 74.25 113.244 177.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.78 142.44 54.92 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.611 -0.515 . . . . 70.55 109.611 172.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 t -77.02 123.2 26.01 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.805 -0.443 . . . . 74.5 109.805 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.563 HG12 ' HE3' ' A' ' 43' ' ' LYS . 7.8 t -71.0 -28.77 34.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.328 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 44.5 tt0 -62.52 -35.19 78.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.161 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.18 89.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.973 -0.558 . . . . 53.43 111.59 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.1 p -79.25 -30.55 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.663 -0.415 . . . . 73.04 110.364 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.563 ' HE3' HG12 ' A' ' 39' ' ' VAL . 98.4 mttt -66.32 -37.13 84.67 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.775 0.321 . . . . 74.32 110.174 175.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' HG2' ' HE2' ' A' ' 48' ' ' LYS . 28.8 tt0 -61.03 -37.41 82.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 73.2 110.111 175.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 60.8 tttt -71.03 -35.34 71.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.906 -0.588 . . . . 75.33 109.937 -178.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.51 -39.35 91.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.087 0.47 . . . . 72.13 110.136 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -62.22 -36.06 80.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.729 -0.669 . . . . 73.43 110.4 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HE2' ' HG2' ' A' ' 44' ' ' GLU . 54.5 mtmt -80.14 12.03 3.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.96 -0.563 . . . . 74.34 111.759 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -64.02 -45.31 89.5 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.594 -0.521 . . . . 70.43 109.594 171.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.3 p -139.19 -0.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.707 -0.679 . . . . 72.54 111.121 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.23 38.76 53.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.837 -0.697 . . . . 44.14 111.756 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.5 m -135.92 144.84 45.71 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.103 -0.332 . . . . 62.25 110.103 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 m -58.21 148.48 26.93 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.901 0.381 . . . . 72.1 111.031 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.47 81.29 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.284 0.564 . . . . 72.33 109.805 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -114.5 -37.96 4.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.683 -0.689 . . . . 54.14 110.623 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.8 p -86.99 6.29 33.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.988 -0.551 . . . . 64.13 111.281 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.9 ttm -134.55 131.55 38.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.187 -0.46 . . . . 64.54 110.236 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.405 ' HB1' ' HB ' ' A' ' 93' ' ' ILE . . . -114.9 130.75 56.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.36 -0.382 . . . . 73.3 110.539 178.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.1 mt -101.0 100.89 11.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.002 0.43 . . . . 74.14 110.647 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -87.54 111.87 21.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.02 -0.536 . . . . 65.41 111.059 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.3 tp -86.51 113.7 22.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.035 -0.529 . . . . 74.24 110.216 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.485 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 27.0 m-85 -114.49 135.91 53.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.262 0.553 . . . . 74.11 112.086 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.653 ' HB3' ' HB2' ' A' ' 67' ' ' SER . 20.7 t70 -82.5 124.33 30.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.051 -0.977 . . . . 74.35 109.38 173.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.7 t70 72.01 -64.35 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.977 0.798 . . . . 62.11 111.002 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' SER . . . . . 0.498 ' HA ' ' HG3' ' A' ' 89' ' ' ARG . 73.4 m -161.76 -51.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.393 -0.367 . . . . 71.1 111.881 -177.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.56 -25.78 3.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 119.787 -1.196 . . . . 55.5 114.161 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.653 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 20.0 m -60.76 116.19 4.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.005 0.402 . . . . 75.13 111.316 -174.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -76.64 106.07 8.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.082 -0.508 . . . . 61.01 110.218 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.7 m -124.38 34.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.059 0.456 . . . . 75.32 110.979 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.64 108.61 2.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.932 -0.576 . . . . 71.11 110.85 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 p -129.19 145.05 36.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.691 -0.686 . . . . 73.14 109.663 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.9 tp -117.51 102.22 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.266 0.555 . . . . 74.31 110.652 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.4 t -164.88 22.28 0.06 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.315 -0.994 . . . . 73.54 108.315 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.481 ' HB2' HG22 ' A' ' 39' ' ' VAL . 5.0 p-10 -114.11 -11.35 12.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.423 -1.262 . . . . 55.55 112.02 -167.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 31.0 m-20 -64.75 -42.81 94.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.271 0.558 . . . . 54.51 110.494 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.2 m -99.91 9.85 42.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.832 -0.622 . . . . 72.34 111.227 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -133.24 138.43 31.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.388 . . . . 73.3 111.583 -173.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.02 125.09 14.05 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.563 2.176 . . . . 71.22 110.968 173.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.89 -31.52 64.96 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.907 0.384 . . . . 75.32 111.706 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.53 ' H ' ' HA ' ' A' ' 36' ' ' GLN . . . -75.11 -20.25 79.35 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.878 -0.677 . . . . 73.11 112.947 -177.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -68.07 -30.13 69.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.958 0.408 . . . . 74.34 110.105 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -74.66 -18.17 60.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.709 -0.678 . . . . 71.45 110.294 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t 66.9 95.37 0.05 OUTLIER Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.448 -0.796 . . . . 74.22 110.625 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.451 ' HG2' HG12 ' A' ' 15' ' ' VAL . 7.8 Cg_exo -73.17 151.62 49.51 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 123.08 2.52 . . . . 73.33 112.589 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -63.89 -60.76 2.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.859 -0.609 . . . . 72.35 110.345 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -166.31 -56.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.509 -0.769 . . . . 72.14 109.114 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 16' ' ' HIS . . . -160.7 156.61 27.97 Favored Glycine 0 N--CA 1.436 -1.314 0 CA-C-N 114.953 -1.021 . . . . 65.22 111.546 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -128.46 164.15 23.37 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.957 0.408 . . . . 74.04 110.503 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.516 ' HD3' ' HB2' ' A' ' 18' ' ' HIS . 16.6 mmt180 -96.11 111.16 23.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.89 -0.596 . . . . 75.32 110.38 177.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.5 mt -90.5 92.15 8.74 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.041 -0.726 . . . . 72.31 109.041 174.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -88.54 98.13 11.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.832 -0.622 . . . . 73.34 110.197 -175.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.9 mt -76.75 112.38 14.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.487 -0.778 . . . . 75.03 110.5 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.405 ' HB ' ' HB1' ' A' ' 58' ' ' ALA . 45.0 mm -76.31 100.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.433 -0.58 . . . . 72.21 109.433 176.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.424 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 23.0 m-20 -83.07 92.71 7.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.931 -0.577 . . . . 74.4 110.867 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.84 71.99 6.55 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.649 -1.241 . . . . 73.43 107.649 172.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -110.9 119.75 45.23 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.013 -0.994 . . . . 70.22 110.497 -172.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 C--O 1.248 1.008 0 C-N-CA 122.646 2.23 . . . . 70.44 112.001 178.429 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 14' ' ' SER . 4.5 p-10 . . . . . 0 CA--C 1.518 -0.269 0 N-CA-C 109.764 -0.458 . . . . 53.44 109.764 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 13' ' ' ASP . 36.5 p 173.58 114.93 0.02 OUTLIER 'General case' 0 C--O 1.232 0.155 0 O-C-N 123.527 0.517 . . . . 73.02 111.995 173.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 33' ' ' PHE . 20.7 m -109.99 100.34 10.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.875 -0.787 . . . . 63.02 108.875 164.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -77.53 82.55 3.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.441 -0.799 . . . . 72.32 111.726 -176.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.684 HD11 HD22 ' A' ' 79' ' ' LEU . 92.9 mt -86.11 106.07 16.98 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.858 -0.61 . . . . 64.34 109.766 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.654 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 70.5 m-70 -77.88 112.68 15.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.063 -0.517 . . . . 75.44 110.191 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.527 ' HB ' ' HB2' ' A' ' 29' ' ' ALA . 58.7 mt -76.42 122.36 30.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.883 0.373 . . . . 71.54 110.338 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.9 m -131.17 129.79 42.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.216 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.446 ' HB3' ' HB2' ' A' ' 24' ' ' LEU . 5.7 t-160 -97.73 149.96 21.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.759 -0.46 . . . . 74.54 109.759 -176.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.55 83.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.666 0.27 . . . . 61.45 110.966 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -75.7 -34.35 60.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.784 0.326 . . . . 73.04 110.855 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HB2' ' HB3' ' A' ' 21' ' ' HIS . 90.6 mt -106.77 92.9 4.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.491 -0.322 . . . . 71.22 110.29 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -50.56 -51.99 43.09 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.941 0.775 . . . . 72.15 111.572 -177.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 t -105.2 96.62 6.65 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.323 0.582 . . . . 75.14 109.9 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -103.58 114.75 29.25 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.114 -0.699 . . . . 74.22 109.114 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.3 m -81.91 83.2 7.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.879 0.371 . . . . 71.53 111.097 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.527 ' HB2' ' HB ' ' A' ' 19' ' ' ILE . . . -147.83 89.93 1.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.258 0.552 . . . . 54.34 110.902 177.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -107.38 123.24 48.08 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.047 -0.723 . . . . 74.31 109.047 174.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.26 137.13 42.25 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.774 -0.648 . . . . 75.45 109.649 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.3 ptt85 -94.92 100.99 12.75 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.582 0.706 . . . . 55.33 109.747 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.471 ' O ' HG22 ' A' ' 15' ' ' VAL . 90.1 m-85 -84.37 169.23 14.83 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.433 -0.803 . . . . 73.21 109.712 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 36' ' ' GLN . 16.0 p -101.06 149.8 36.54 Favored Pre-proline 0 C--N 1.317 -0.843 0 N-CA-C 109.664 -0.495 . . . . 72.42 109.664 175.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.477 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 59.0 Cg_endo -70.84 15.3 0.3 Allowed 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 122.724 2.283 . . . . 61.55 113.191 -178.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.432 ' H ' ' C ' ' A' ' 34' ' ' SER . 48.2 mt-30 -83.45 -35.61 24.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.84 0.352 . . . . 63.32 111.158 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 58.8 ttp -78.46 138.54 38.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.241 -0.436 . . . . 74.13 110.464 -175.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 m -93.01 155.79 17.31 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.143 -0.317 . . . . 65.35 110.143 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.573 ' HB ' ' HA ' ' A' ' 75' ' ' ASP . 28.4 t -65.91 -31.96 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.71 0.767 . . . . 64.02 109.797 177.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -57.9 -34.22 69.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.993 -1.003 . . . . 60.42 111.016 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.95 82.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.002 -0.545 . . . . 74.42 111.892 -176.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 39' ' ' VAL . 10.2 p -67.31 -33.65 64.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.863 -0.335 . . . . 55.34 110.98 -177.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -58.69 -55.11 39.37 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.117 0.484 . . . . 75.14 110.188 175.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.01 -40.43 80.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.348 -0.842 . . . . 62.31 111.18 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 25.2 ttmt -70.58 -35.73 73.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.11 -0.495 . . . . 74.54 111.236 -176.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 42' ' ' VAL . 94.8 mt -68.73 -36.97 79.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.964 0.412 . . . . 71.12 110.259 175.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 26.4 t90 -64.22 -26.38 68.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.697 -0.683 . . . . 74.21 110.461 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -85.25 -41.28 15.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.281 -0.418 . . . . 75.33 110.734 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -67.9 -56.18 10.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.873 -0.603 . . . . 74.41 111.684 -175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.4 m -92.81 -22.45 19.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.387 -0.37 . . . . 71.21 110.971 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.67 27.2 73.6 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.675 -0.774 . . . . 52.24 112.41 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.4 m -124.22 147.56 47.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.167 -0.308 . . . . 71.35 110.167 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.5 m -64.61 136.98 57.56 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.225 0.328 . . . . 63.2 110.835 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.437 ' C ' ' H ' ' A' ' 56' ' ' SER . 30.3 m -80.34 0.39 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.953 0.406 . . . . 73.52 111.405 -177.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -80.39 32.06 0.29 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.742 0.782 . . . . 75.22 110.218 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.523 ' HA ' HD12 ' A' ' 95' ' ' LEU . 47.3 m -147.61 19.94 1.17 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.559 0.695 . . . . 54.44 109.302 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.6 ttp -151.61 101.0 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.226 -0.897 . . . . 55.24 109.401 -177.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HB1' ' HB ' ' A' ' 93' ' ' ILE . . . -87.28 142.78 27.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.115 -0.493 . . . . 64.21 111.27 -174.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -101.31 102.48 13.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.093 -0.503 . . . . 74.22 109.982 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.968 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 6.3 mm-40 -90.42 110.82 21.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.83 -0.623 . . . . 74.12 110.378 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.575 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 54.0 tp -84.07 107.11 16.22 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.51 -0.552 . . . . 65.3 109.51 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.446 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 2.0 m-85 -83.47 120.49 25.98 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.855 -0.611 . . . . 74.42 111.328 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.87 138.66 35.68 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.69 -1.226 . . . . 75.31 107.69 168.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -97.98 -0.96 43.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.134 0.493 . . . . 73.43 111.03 -171.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.0 t -84.98 -38.64 19.03 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.029 -0.73 . . . . 70.44 109.029 175.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.98 -91.15 1.77 Allowed Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.577 -0.738 . . . . 62.34 111.521 174.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.2 m -165.95 -62.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.768 0.318 . . . . 75.32 111.477 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' HE2' ' OE2' ' A' ' 60' ' ' GLU . 42.6 tttm -131.03 125.67 33.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.491 -0.322 . . . . 54.44 111.473 -168.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.575 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 25.2 m -138.91 145.56 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.735 -0.468 . . . . 75.05 109.735 175.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.64 107.59 0.07 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.294 -0.412 . . . . 72.42 111.004 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.9 t -78.5 -53.87 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.149 -0.686 . . . . 60.25 109.149 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.6 tp 71.65 8.42 6.16 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.113 -0.949 . . . . 63.1 111.101 173.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.9 t -94.62 -15.9 23.63 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.683 -1.228 . . . . 73.41 107.683 169.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -84.76 -8.9 58.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.903 -1.499 . . . . 72.25 110.953 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.573 ' HA ' ' HB ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -64.46 -28.75 69.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 72.43 110.393 -177.735 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.1 m -88.9 4.03 49.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.793 -0.64 . . . . 65.24 110.48 -177.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.4 mmm-85 -119.19 168.79 9.21 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.174 -0.676 . . . . 61.24 109.174 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -62.79 145.74 94.89 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.985 1.79 . . . . 74.13 110.944 173.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' ' 17' ' ' LEU . 22.5 tp -60.02 -26.47 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.953 0.406 . . . . 75.53 110.879 -177.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.477 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -74.7 -10.29 83.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.988 -0.625 . . . . 73.41 112.902 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -73.54 -38.71 65.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.108 0.48 . . . . 75.05 109.73 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -89.76 -40.55 12.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.76 -0.655 . . . . 72.15 109.573 175.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 t 63.94 80.32 0.24 Allowed Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 115.447 -0.797 . . . . 53.45 111.813 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.01 130.69 11.47 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.881 2.387 . . . . 61.31 111.078 174.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -94.78 -173.45 3.0 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.07 0.462 . . . . 74.11 111.51 -174.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -70.5 -11.24 60.8 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.508 -0.769 . . . . 61.15 112.558 -172.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.37 -2.17 80.21 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.678 -0.772 . . . . 45.22 112.685 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.404 ' HB3' HD13 ' A' ' 61' ' ' LEU . 95.9 m-85 -99.51 145.97 26.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.268 0.556 . . . . 74.22 111.67 -176.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.654 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 77.9 mtt180 -128.09 145.92 50.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.774 -0.648 . . . . 74.43 109.973 178.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 17' ' ' LEU . 83.9 mt -100.85 106.13 17.47 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.161 -0.311 . . . . 71.34 110.161 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.968 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 9.4 t-160 -94.78 105.14 17.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.03 0.443 . . . . 54.41 110.31 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -79.15 108.68 13.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 74.41 110.201 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.429 ' HB ' ' HB1' ' A' ' 58' ' ' ALA . 31.4 mm -81.86 124.59 39.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.972 0.415 . . . . 73.52 110.999 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -93.1 121.08 34.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.71 -0.677 . . . . 74.32 109.744 177.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 56' ' ' SER . 94.2 mt -101.87 -157.31 0.6 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.393 -0.595 . . . . 72.0 109.393 175.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -97.14 117.07 66.08 Favored Pre-proline 0 C--N 1.323 -0.571 0 C-N-CA 121.016 -0.273 . . . . 72.41 110.283 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 C--O 1.246 0.917 0 C-N-CA 123.137 2.558 . . . . 73.52 112.096 -179.167 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 t70 . . . . . 0 C--O 1.234 0.264 0 N-CA-C 108.236 -1.024 . . . . 71.44 108.236 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.504 ' HB3' ' O ' ' A' ' 33' ' ' PHE . 28.1 m 61.52 -172.18 0.15 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 123.406 0.441 . . . . 73.24 111.023 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -114.94 143.01 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.872 0.368 . . . . 65.41 110.353 177.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.485 ' HB2' ' HB2' ' A' ' 86' ' ' ASP . 0.1 OUTLIER -98.36 94.59 6.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.059 -0.519 . . . . 73.24 110.982 179.003 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.98 121.53 38.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.651 -0.704 . . . . 73.22 109.592 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.888 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 37.8 m-70 -87.79 116.34 25.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.476 -0.329 . . . . 72.04 110.252 -178.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.0 mt -81.82 116.98 27.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.973 -0.558 . . . . 72.15 110.284 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.532 ' OG1' ' HA ' ' A' ' 91' ' ' HIS . 40.9 p -118.8 137.13 53.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.156 -0.475 . . . . 74.03 110.524 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -95.17 131.8 40.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.133 -0.692 . . . . 75.44 109.133 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HA ' ' NE2' ' A' ' 91' ' ' HIS . . . -56.11 -44.92 79.57 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.142 0.423 . . . . 71.42 112.142 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -75.32 -18.6 59.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.266 -0.424 . . . . 62.15 111.875 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.9 mt -130.4 97.55 4.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.916 0.339 . . . . 75.12 111.916 -173.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -66.71 -24.34 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.035 0.445 . . . . 74.34 110.475 176.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 m -66.19 -26.19 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.942 -0.572 . . . . 73.15 110.785 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -88.06 102.43 14.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.185 -0.461 . . . . 74.05 109.973 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -145.52 63.2 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.725 -0.671 . . . . 75.03 109.978 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.25 134.37 34.14 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.781 -0.645 . . . . 65.11 110.657 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' A' ' 18' ' ' HIS . 5.7 p-10 -81.14 129.84 34.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.099 0.476 . . . . 75.33 109.836 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.19 160.63 18.06 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 116.056 -0.52 . . . . 72.25 109.68 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -116.06 118.93 34.26 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.341 0.591 . . . . 64.43 110.126 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.504 ' O ' ' HB3' ' A' ' 14' ' ' SER . 90.6 m-85 -127.27 153.71 45.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.838 -0.619 . . . . 74.51 110.015 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 p -96.92 117.75 65.56 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 116.138 -0.483 . . . . 74.51 109.959 176.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.79 -5.14 6.86 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.999 2.466 . . . . 74.2 113.254 -176.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -69.12 -19.8 64.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.858 0.361 . . . . 75.4 110.198 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.9 ttt -88.94 136.63 32.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.86 -0.609 . . . . 64.35 110.306 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.5 m -79.58 139.99 37.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.266 -0.424 . . . . 70.22 110.628 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.48 -27.19 42.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.248 0.547 . . . . 72.21 110.568 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.596 ' HA ' ' NZ ' ' A' ' 43' ' ' LYS . 6.0 tp10 -59.19 -32.43 69.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.776 -0.647 . . . . 74.03 111.059 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.33 4.16 53.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.866 0.365 . . . . 70.51 111.313 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.2 t -97.61 -30.74 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.477 -0.329 . . . . 61.42 111.051 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.596 ' NZ ' ' HA ' ' A' ' 40' ' ' GLU . 59.2 mttp -56.12 -57.01 14.0 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.058 -0.519 . . . . 70.45 112.039 -174.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.12 -38.82 92.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.42 -0.354 . . . . 74.25 111.004 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.38 -42.94 99.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 71.04 110.853 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.42 -40.7 89.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 73.1 110.467 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -61.04 -46.6 90.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.657 -0.701 . . . . 74.43 111.036 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -79.0 -6.35 56.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.363 -0.38 . . . . 72.14 111.187 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -90.64 -50.68 5.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.407 -0.36 . . . . 73.24 110.705 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.7 t -170.08 -24.76 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.227 -0.442 . . . . 71.41 111.677 -174.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.26 172.33 38.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.896 -0.668 . . . . 45.12 112.668 -178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 p -90.13 -175.31 4.5 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.567 0.222 . . . . 65.34 111.193 -178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -57.69 134.04 55.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 62.53 111.341 -175.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.82 88.86 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.104 0.478 . . . . 74.04 109.9 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.6 t30 178.36 -58.88 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.066 -0.97 . . . . 71.32 109.015 -175.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.95 -13.13 36.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.956 -1.02 . . . . 74.11 110.475 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.9 ttp -98.03 101.95 13.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.652 -0.704 . . . . 64.32 109.926 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.513 ' HB2' ' HB ' ' A' ' 93' ' ' ILE . . . -99.82 145.87 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.86 0.362 . . . . 52.23 111.189 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.7 mt -108.93 96.18 6.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.274 -0.421 . . . . 75.34 110.523 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -102.18 111.14 23.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.07 0.462 . . . . 75.14 110.95 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.658 ' H ' ' HB2' ' A' ' 70' ' ' ALA . 41.7 tp -82.41 110.09 17.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.903 -0.59 . . . . 71.14 110.233 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -89.09 140.12 29.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.971 -0.559 . . . . 70.32 110.876 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.429 ' HB2' HG12 ' A' ' 69' ' ' VAL . 27.5 t70 -82.09 78.46 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.051 -0.722 . . . . 75.31 109.051 173.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 70.55 -65.69 0.32 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.545 -1.207 . . . . 74.11 111.13 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -168.62 120.09 0.78 Allowed 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 123.858 0.863 . . . . 53.33 108.95 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.79 141.98 3.08 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.563 -0.827 . . . . 74.34 111.306 -175.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m 62.92 103.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.627 0.727 . . . . 71.14 111.102 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 pttp -91.63 132.52 36.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.926 -0.579 . . . . 74.05 109.774 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.429 HG12 ' HB2' ' A' ' 63' ' ' ASP . 29.7 m -98.84 9.98 7.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.329 0.585 . . . . 60.11 110.838 -174.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.658 ' HB2' ' H ' ' A' ' 61' ' ' LEU . . . -84.27 87.02 7.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.758 -0.655 . . . . 75.44 110.813 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.6 p -89.38 -21.44 6.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.985 -0.552 . . . . 74.4 110.397 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 56.14 80.94 0.13 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.688 -0.687 . . . . 62.53 111.033 -176.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.3 t -138.42 -36.17 0.58 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.437 -0.802 . . . . 71.43 109.69 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.24 26.28 9.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.465 0.65 . . . . 72.21 109.675 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.472 ' CG ' ' HZ3' ' A' ' 43' ' ' LYS . 12.2 t70 -59.83 -42.41 93.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.874 -1.057 . . . . 72.0 111.407 -178.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.1 m -96.12 17.34 15.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.431 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -110.25 160.2 29.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.09 -0.337 . . . . 75.22 110.09 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.88 106.86 1.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.334 2.023 . . . . 74.13 111.268 173.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.483 HD11 ' O ' ' A' ' 79' ' ' LEU . 1.5 tm? -61.72 -32.53 72.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 73.04 110.417 -176.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.54 -14.92 60.9 Favored Glycine 0 CA--C 1.518 0.256 0 CA-C-N 115.867 -0.606 . . . . 75.21 112.872 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -78.74 -31.69 46.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.055 0.455 . . . . 74.14 109.879 175.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.403 ' C ' ' HG ' ' A' ' 83' ' ' SER . 34.1 t80 -78.04 -74.47 0.26 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.747 -0.66 . . . . 74.42 109.928 -178.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.403 ' HG ' ' C ' ' A' ' 82' ' ' PHE . 69.9 m -162.32 129.83 2.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 74.2 111.032 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -83.68 126.72 4.1 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.237 1.958 . . . . 70.2 111.431 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -146.75 162.09 39.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.853 0.359 . . . . 71.41 111.593 -176.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.485 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . 4.6 p-10 -141.67 146.62 36.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 65.32 109.749 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.82 -31.48 3.91 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.424 -0.893 . . . . 72.23 112.221 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.5 ' HB3' HD11 ' A' ' 61' ' ' LEU . 74.5 m-85 -66.5 146.89 54.03 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.913 0.387 . . . . 74.51 110.163 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.888 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 56.4 mtm180 -119.51 127.61 53.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.035 0.445 . . . . 74.23 111.141 -176.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.7 mt -82.0 108.83 15.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.51 -0.768 . . . . 74.52 109.892 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.532 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 5.7 t-160 -92.16 96.35 10.27 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.863 -0.791 . . . . 71.2 108.863 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.76 111.82 3.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.876 -0.602 . . . . 74.53 110.303 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.514 HG22 ' HG ' ' A' ' 95' ' ' LEU . 42.8 mm -93.0 78.81 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.997 -0.742 . . . . 63.24 108.997 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -90.63 99.8 12.76 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.651 0.739 . . . . 61.54 109.753 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.514 ' HG ' HG22 ' A' ' 93' ' ' ILE . 86.5 mt -103.84 21.51 16.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.493 -0.776 . . . . 73.44 110.775 -175.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 4.7 m-20 -55.78 136.89 71.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.105 -0.498 . . . . 71.41 110.722 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 50.9 Cg_exo . . . . . 0 C--O 1.246 0.887 0 C-N-CA 123.294 2.663 . . . . 62.34 112.572 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 108.818 -0.808 . . . . 71.53 108.818 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.743 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 55.8 m -152.61 161.57 42.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.475 -0.329 . . . . 52.35 110.633 -175.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 m -95.5 169.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.128 -0.487 . . . . 72.33 110.502 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -122.48 84.04 2.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.471 -0.331 . . . . 72.41 110.151 -176.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.408 HD11 ' HD2' ' A' ' 33' ' ' PHE . 86.2 mt -76.74 110.46 11.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.071 0.462 . . . . 64.25 110.146 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -85.15 102.83 13.6 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.84 -0.618 . . . . 74.43 110.29 -175.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.493 HD12 ' HB2' ' A' ' 90' ' ' LEU . 51.3 mm -88.03 122.59 39.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.058 -0.519 . . . . 52.42 110.405 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 m -139.22 125.09 19.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.35 -0.386 . . . . 60.21 110.705 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -84.57 160.84 20.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.5 -0.318 . . . . 73.13 110.61 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.59 -27.49 15.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.205 0.526 . . . . 44.21 109.76 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.11 -53.13 10.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.5 -0.773 . . . . 72.41 109.807 176.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.46 101.51 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.849 -0.614 . . . . 72.41 109.482 176.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -77.47 -21.56 52.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.078 -0.51 . . . . 72.15 111.519 -175.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.6 m -97.28 9.96 40.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.18 0.514 . . . . 75.4 110.569 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -94.21 93.0 7.52 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.367 -0.605 . . . . 74.2 109.367 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.8 m -113.68 99.53 7.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.809 -0.632 . . . . 64.23 110.341 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.37 127.19 50.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.057 -0.519 . . . . 73.23 109.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -100.87 105.06 16.3 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.142 0.496 . . . . 71.44 109.82 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.494 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . . . -93.5 100.04 12.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.597 -0.729 . . . . 71.1 111.05 -175.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -87.36 122.3 30.94 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.802 -0.636 . . . . 71.11 109.94 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 31' ' ' ALA . 67.9 m-85 -133.67 139.43 46.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.906 -0.588 . . . . 75.41 110.448 -179.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 22.3 m -69.45 136.09 88.56 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.365 -0.606 . . . . 61.02 109.365 174.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.743 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 6.1 Cg_exo -72.61 77.07 2.25 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.512 2.141 . . . . 42.4 112.576 -175.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -176.29 74.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.962 -0.563 . . . . 74.25 109.939 173.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.5 ttt -153.15 147.02 25.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.964 -0.562 . . . . 70.55 109.841 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -86.18 134.84 33.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.968 0.413 . . . . 74.5 110.356 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.487 HG11 HD23 ' A' ' 72' ' ' LEU . 36.3 t -64.07 -29.89 48.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.535 . . . . 72.34 110.627 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.62 -29.27 69.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.812 -0.631 . . . . 71.33 110.855 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.23 -44.11 31.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 53.43 111.136 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.55 -36.35 70.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 120.808 -0.357 . . . . 73.04 110.808 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -61.39 -37.4 83.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.952 0.406 . . . . 74.32 110.513 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.02 -41.55 95.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.202 -0.454 . . . . 73.2 110.974 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -67.46 -31.92 72.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.487 -0.324 . . . . 75.33 110.378 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.5 mt -72.83 -39.4 66.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.196 175.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -57.63 -38.37 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.699 -0.682 . . . . 73.43 110.569 177.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -67.35 -5.23 13.52 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.839 -0.619 . . . . 74.34 112.345 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -81.67 -42.96 19.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.867 0.365 . . . . 70.43 110.901 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.7 p -110.6 -25.47 9.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.292 -0.413 . . . . 72.54 111.647 -177.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.99 25.71 63.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.675 -0.774 . . . . 44.14 111.561 -176.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.3 m -142.84 138.29 30.21 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.46 -0.57 . . . . 62.25 109.46 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.5 m -59.75 138.14 57.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.916 0.388 . . . . 72.1 111.282 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.3 t -70.66 108.59 2.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 72.33 109.87 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -139.64 -32.47 0.64 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.076 -0.511 . . . . 54.14 111.325 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.8 p -81.09 -59.85 2.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.867 0.365 . . . . 64.13 111.115 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.5 ttm -67.22 120.5 13.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 64.54 110.573 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -89.2 140.23 29.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.3 -0.409 . . . . 73.3 111.319 -175.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.7 mt -113.64 118.1 33.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.975 -0.557 . . . . 74.14 109.588 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -109.78 135.32 50.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.942 0.401 . . . . 65.41 111.418 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.666 ' HB3' ' HA ' ' A' ' 70' ' ' ALA . 65.9 tp -101.79 109.21 20.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.481 -0.781 . . . . 74.24 109.759 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.407 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 63.2 m-85 -110.15 133.47 53.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.206 0.527 . . . . 74.11 111.795 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.79 ' HB3' ' HB2' ' A' ' 67' ' ' SER . 6.8 t70 -86.95 118.22 26.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.331 -0.849 . . . . 74.35 109.587 174.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 70.08 -63.73 0.38 Allowed 'General case' 0 C--O 1.235 0.291 0 O-C-N 124.211 0.944 . . . . 62.11 110.817 -177.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.7 m -164.79 -65.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.89 -0.596 . . . . 71.1 111.237 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.0 -13.68 52.02 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.566 -0.826 . . . . 55.5 114.104 -170.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.79 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 15.7 m -74.4 106.32 5.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.237 0.519 . . . . 75.13 110.601 -178.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -82.21 89.95 6.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.033 0.444 . . . . 61.01 109.91 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.1 m -111.27 40.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.929 -0.578 . . . . 75.32 110.869 -175.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.666 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -70.26 93.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.838 -0.619 . . . . 71.11 111.388 -177.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.5 p -146.23 119.05 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.965 -0.561 . . . . 73.14 110.202 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.487 HD23 HG11 ' A' ' 39' ' ' VAL . 59.9 tp -146.24 119.32 8.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.074 -0.512 . . . . 74.31 110.169 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -122.31 -24.05 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.277 -0.42 . . . . 73.54 110.861 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.699 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -96.06 52.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.074 0.464 . . . . 55.55 111.096 -178.501 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.41 ' HA ' ' HB ' ' A' ' 39' ' ' VAL . 3.4 m-20 -57.65 -38.85 75.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.447 0.642 . . . . 54.51 110.885 177.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 p -90.35 21.73 3.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.702 -0.681 . . . . 72.34 111.564 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.699 ' HB2' ' HB2' ' A' ' 74' ' ' ASP . 13.9 mmt180 -125.16 154.8 71.72 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.18 -0.464 . . . . 73.3 110.531 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.56 ' O ' ' HD1' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -71.59 121.59 7.83 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.563 2.175 . . . . 71.22 112.211 178.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -53.94 -19.8 5.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.094 -0.503 . . . . 75.32 111.756 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.41 -31.83 77.82 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.005 -0.616 . . . . 73.11 113.481 -177.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . 0.56 ' HD1' ' O ' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -83.69 -13.33 54.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.43 0.615 . . . . 74.34 110.265 -177.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -77.83 -23.98 48.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.8 -0.636 . . . . 71.45 110.482 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m 64.79 90.78 0.08 OUTLIER Pre-proline 0 C--O 1.234 0.246 0 CA-C-N 115.839 -0.619 . . . . 74.22 110.793 -176.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.26 164.42 26.74 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.666 2.244 . . . . 73.33 112.579 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -73.81 -68.7 0.49 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.964 -0.562 . . . . 72.35 110.266 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -174.07 -68.63 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.231 0.539 . . . . 72.14 109.981 175.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.59 97.04 0.2 Allowed Glycine 0 N--CA 1.439 -1.16 0 C-N-CA 120.679 -0.772 . . . . 65.22 112.515 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -81.05 163.14 23.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.803 0.335 . . . . 74.04 110.209 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 23.0 mmt180 -95.38 98.54 10.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.11 -0.495 . . . . 75.32 110.575 177.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.493 ' HB2' HD12 ' A' ' 19' ' ' ILE . 91.2 mt -85.15 83.79 7.9 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.881 -0.785 . . . . 72.31 108.881 175.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -87.83 100.64 13.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.381 -0.827 . . . . 73.34 110.003 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 72.2 mt -69.02 115.34 7.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.304 -0.862 . . . . 75.03 110.274 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.494 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 43.9 mm -83.03 102.63 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.98 -0.555 . . . . 72.21 109.503 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.27 88.52 0.63 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.918 -0.583 . . . . 74.4 110.441 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.95 12.38 6.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.558 -0.746 . . . . 73.43 109.935 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -113.67 93.5 28.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.333 -0.849 . . . . 70.22 109.762 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 C--O 1.246 0.915 0 C-N-CA 123.187 2.591 . . . . 70.44 111.919 -178.616 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 109.936 -0.394 . . . . 72.31 109.936 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.0 m -155.52 165.93 35.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.155 -0.475 . . . . 62.5 109.863 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.634 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 19.3 m -92.17 126.31 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.84 -0.43 . . . . 71.31 109.84 176.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -90.43 89.15 7.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.128 0.489 . . . . 74.14 110.931 -174.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -88.75 108.12 19.32 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.026 -0.534 . . . . 75.21 110.064 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -79.76 125.23 29.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.873 0.368 . . . . 71.21 110.775 -174.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.45 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 65.7 mt -85.5 121.93 37.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.107 -0.497 . . . . 74.12 110.294 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.471 ' O ' ' HA ' ' A' ' 91' ' ' HIS . 21.2 m -111.21 105.5 14.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.068 0.461 . . . . 72.52 109.887 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 9.6 t-160 -82.53 147.99 28.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.005 -0.543 . . . . 73.43 109.669 -177.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.8 -63.93 1.07 Allowed 'General case' 0 C--O 1.233 0.209 0 N-CA-C 111.674 0.25 . . . . 72.33 111.674 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -64.15 -48.03 77.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 74.23 110.837 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 8.4 mp -88.02 91.63 8.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.349 -0.612 . . . . 72.41 109.349 175.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -64.81 -39.04 92.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.583 -0.735 . . . . 72.13 112.289 -173.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.5 m -97.89 79.93 2.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.198 0.523 . . . . 73.21 110.611 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -98.29 95.16 7.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.882 -0.784 . . . . 75.43 108.882 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.9 m -85.45 79.19 9.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.949 -0.568 . . . . 73.25 111.12 -176.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -159.9 112.84 2.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.803 -0.635 . . . . 72.11 110.805 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -94.51 130.73 40.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.708 -0.478 . . . . 65.32 109.708 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.407 ' HB3' ' HE2' ' A' ' 33' ' ' PHE . . . -86.93 87.39 7.45 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.493 -0.558 . . . . 73.44 109.493 177.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.634 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 8.5 ptp180 -88.71 114.1 24.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.391 0.615 . . . . 73.14 110.696 -177.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.407 ' HE2' ' HB3' ' A' ' 31' ' ' ALA . 96.0 m-85 -124.12 161.59 25.31 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.698 -0.683 . . . . 71.21 109.798 177.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.436 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 19.6 m -55.65 135.63 71.44 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.213 -0.448 . . . . 74.05 110.728 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 37.3 Cg_exo -61.57 -12.8 26.26 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.885 2.39 . . . . 65.31 112.328 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.405 ' HA ' ' HB3' ' A' ' 78' ' ' PRO . 69.6 mt-30 -88.2 -3.52 58.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.992 -0.549 . . . . 73.5 111.058 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' MET . . . . . 0.707 ' HE1' ' HB3' ' A' ' 41' ' ' ALA . 24.7 ttt -83.82 139.89 32.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.213 -0.449 . . . . 73.52 111.037 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 9.4 p -101.56 162.34 12.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.709 -0.678 . . . . 71.35 110.12 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.496 ' O ' HG12 ' A' ' 42' ' ' VAL . 8.7 p -69.38 -13.93 17.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 121.415 0.626 . . . . 73.4 110.494 -177.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.09 -33.29 68.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.769 -0.651 . . . . 54.1 110.84 176.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.707 ' HB3' ' HE1' ' A' ' 37' ' ' MET . . . -78.43 8.43 5.13 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.604 0.594 . . . . 75.23 112.604 -171.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.496 HG12 ' O ' ' A' ' 39' ' ' VAL . 7.4 p -122.53 -12.08 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.681 -0.408 . . . . 75.34 110.81 177.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -62.54 -58.83 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.245 0.545 . . . . 65.55 111.305 -175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -73.19 -26.72 61.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.552 -0.749 . . . . 70.34 110.392 -177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 30.5 ttmt -66.06 -43.59 87.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.286 -0.87 . . . . 74.11 110.692 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.5 mt -74.88 -33.52 62.08 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.964 0.412 . . . . 64.42 110.514 177.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -58.45 -46.58 86.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.705 -0.679 . . . . 72.4 111.211 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -82.46 0.42 42.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.83 0.348 . . . . 75.33 111.294 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.532 ' HG2' ' SG ' ' A' ' 50' ' ' CYS . 56.3 tttp -88.05 -61.05 1.8 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.361 -0.381 . . . . 75.55 110.965 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.532 ' SG ' ' HG2' ' A' ' 49' ' ' LYS . 63.3 m -112.54 6.58 18.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.724 0.268 . . . . 73.23 111.724 -174.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.12 48.58 85.41 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.74 -0.743 . . . . 40.43 112.211 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.6 t -133.25 158.99 41.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.707 0.289 . . . . 65.02 110.421 -175.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.0 m -96.18 149.19 21.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.117 -0.492 . . . . 75.42 109.997 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.9 m -65.5 -16.21 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 73.03 111.539 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -81.41 -19.14 43.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.399 0.619 . . . . 74.41 109.997 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 m -91.18 2.39 56.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.896 -0.593 . . . . 61.12 110.271 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.829 ' HE1' HD22 ' A' ' 59' ' ' LEU . 28.1 ttt -122.5 97.84 5.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.559 -0.746 . . . . 71.12 109.759 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.519 ' HB2' ' HB ' ' A' ' 93' ' ' ILE . . . -72.93 111.44 8.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.14 0.495 . . . . 74.25 111.198 -176.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.829 HD22 ' HE1' ' A' ' 57' ' ' MET . 95.6 mt -113.6 107.52 15.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.705 -0.679 . . . . 65.22 110.82 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.649 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 51.8 mt-10 -91.73 95.44 9.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.027 0.442 . . . . 74.23 110.156 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.507 ' HB3' ' HB1' ' A' ' 70' ' ' ALA . 65.2 tp -79.56 100.44 7.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.767 -0.651 . . . . 74.41 110.823 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.567 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 24.1 m-85 -90.75 160.3 15.88 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.652 -0.499 . . . . 71.23 109.652 176.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -61.51 -47.41 85.72 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.42 -0.585 . . . . 64.31 109.42 171.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.687 ' HA ' ' HG2' ' A' ' 89' ' ' ARG . 31.3 t70 161.22 -34.86 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 125.029 1.331 . . . . 71.03 107.74 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -76.01 -42.21 48.71 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.585 -1.188 . . . . 62.34 110.388 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.68 -1.74 0.62 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.197 -1.002 . . . . 75.11 113.131 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.9 m -88.56 125.1 34.63 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.566 -0.531 . . . . 65.21 109.566 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 24.2 pttm -69.36 123.74 22.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.361 0.6 . . . . 75.33 110.218 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -109.23 15.79 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.808 -0.633 . . . . 73.14 110.593 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.507 ' HB1' ' HB3' ' A' ' 61' ' ' LEU . . . -80.25 77.77 6.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.605 -0.725 . . . . 75.22 111.133 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.6 -30.42 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.879 -0.6 . . . . 74.41 109.519 174.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 54.02 72.75 0.43 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 114.984 -1.007 . . . . 71.12 111.465 176.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 t -133.67 1.6 3.38 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.879 0.847 . . . . 75.34 108.786 171.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -116.78 23.54 11.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.745 -1.116 . . . . 61.35 109.829 -173.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.467 ' HA ' HG13 ' A' ' 39' ' ' VAL . 7.0 p-10 -54.26 -43.53 71.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.476 -0.784 . . . . 71.44 111.993 -175.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.13 26.83 9.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.084 -0.507 . . . . 74.53 110.834 -177.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -130.34 154.66 81.54 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 62.41 110.501 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.405 ' HB3' ' HA ' ' A' ' 36' ' ' GLN . 37.4 Cg_endo -67.56 129.53 20.25 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.5 2.134 . . . . 70.12 112.093 177.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.521 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 56.6 tp -63.86 -32.15 73.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 74.41 111.166 -178.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.2 -18.65 69.46 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 116.205 -0.452 . . . . 64.4 112.783 -177.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -76.63 -26.21 54.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.104 0.478 . . . . 74.22 110.279 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -75.21 -26.71 59.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 64.34 110.748 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 t 64.19 71.0 0.62 Allowed Pre-proline 0 CA--C 1.532 0.28 0 CA-C-O 121.343 0.592 . . . . 74.14 109.843 -174.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.521 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 66.0 Cg_endo -98.18 -172.11 0.15 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.435 2.757 . . . . 74.45 113.345 -176.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -89.18 130.56 35.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.522 -0.763 . . . . 74.31 109.829 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -83.9 91.64 7.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.239 0.542 . . . . 72.54 110.783 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 142.01 50.42 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.66 -0.781 . . . . 73.23 112.762 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -77.05 167.48 21.73 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.751 0.31 . . . . 73.41 110.746 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.687 ' HG2' ' HA ' ' A' ' 64' ' ' ASP . 13.4 mmt180 -111.62 110.78 21.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.208 -0.451 . . . . 70.42 111.07 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 19' ' ' ILE . 94.2 mt -90.23 86.87 6.63 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.918 -0.401 . . . . 72.32 109.918 174.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 11.3 t-80 -81.18 104.94 12.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.993 0.425 . . . . 55.51 110.444 -177.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.4 HG12 ' CD2' ' A' ' 59' ' ' LEU . 59.7 mt -88.07 112.5 23.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.601 -0.727 . . . . 61.24 110.147 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.519 ' HB ' ' HB2' ' A' ' 58' ' ' ALA . 49.0 mm -71.28 126.42 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.546 -0.538 . . . . 64.54 109.546 176.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.1 93.04 6.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.075 0.464 . . . . 53.32 111.099 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -135.06 13.22 3.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.66 -0.7 . . . . 64.03 110.073 176.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.467 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 31.4 t70 -83.31 115.67 60.38 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.937 -0.574 . . . . 72.5 110.693 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 8.0 Cg_exo . . . . . 0 C--O 1.251 1.155 0 C-N-CA 123.415 2.743 . . . . 72.55 112.408 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 . . . . . 0 CA--C 1.514 -0.424 0 N-CA-C 109.248 -0.649 . . . . 55.31 109.248 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 m -140.71 140.02 34.81 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.72 0.295 . . . . 75.4 110.635 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.5 m -92.76 113.9 28.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.363 0.601 . . . . 74.34 109.408 173.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -84.63 90.39 7.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.787 -0.642 . . . . 73.33 110.075 -176.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.5 mt -80.49 126.58 31.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.696 -0.684 . . . . 75.32 110.412 -177.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -99.01 101.38 12.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.81 0.338 . . . . 73.21 110.736 176.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.424 ' HB ' ' HB2' ' A' ' 29' ' ' ALA . 73.7 mt -75.18 121.2 26.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.922 -0.581 . . . . 71.0 110.042 178.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.9 m -120.89 106.69 11.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.81 -0.632 . . . . 73.52 109.728 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.693 ' HD1' ' HB2' ' A' ' 24' ' ' LEU . 5.3 t-160 -88.57 139.01 30.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.265 -0.425 . . . . 71.42 110.185 -175.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.52 -71.08 0.34 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.32 0.489 . . . . 72.23 112.32 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.427 ' H ' ' HB3' ' A' ' 94' ' ' ASP . 3.3 t-20 -55.39 -48.86 73.68 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.758 0.313 . . . . 71.33 110.765 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.693 ' HB2' ' HD1' ' A' ' 21' ' ' HIS . 96.7 mt -90.24 92.61 9.0 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.535 -0.542 . . . . 71.35 109.535 173.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -70.57 -32.76 70.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.929 -0.578 . . . . 62.04 111.486 -174.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.6 m -89.23 19.0 4.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.276 -0.42 . . . . 72.31 111.31 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -85.52 100.36 11.86 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.656 -0.498 . . . . 71.4 109.656 177.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p -103.58 123.01 46.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.994 -0.548 . . . . 71.34 110.879 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.424 ' HB2' ' HB ' ' A' ' 19' ' ' ILE . . . -150.49 101.42 2.95 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.11 -0.495 . . . . 73.42 111.032 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -101.33 105.79 16.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.663 0.744 . . . . 74.35 109.799 174.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.54 137.07 42.94 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.599 -0.728 . . . . 44.43 110.887 -175.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -105.88 116.08 31.33 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.136 -0.484 . . . . 65.01 110.24 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -117.25 171.63 7.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.971 -0.559 . . . . 73.3 110.708 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 m -74.74 137.86 73.64 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.452 177.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.14 163.46 31.5 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.516 2.144 . . . . 73.34 111.756 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.631 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 45.1 mt-30 66.79 24.42 9.87 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.877 -0.601 . . . . 74.21 110.62 -177.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.4 ttt -76.61 139.07 40.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.462 -0.79 . . . . 75.32 110.156 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -85.42 142.45 29.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.16 0.505 . . . . 75.13 110.76 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.598 ' O ' HG12 ' A' ' 42' ' ' VAL . 38.9 t -71.04 -24.26 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.87 -0.605 . . . . 74.51 111.12 -176.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 32.6 tt0 -62.07 -18.55 61.05 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.929 0.395 . . . . 73.34 110.975 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.91 89.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 75.42 111.046 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.0 p -80.01 -18.49 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.106 0.479 . . . . 74.43 110.255 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.573 ' O ' ' HB2' ' A' ' 47' ' ' TRP . 55.4 mmtt -64.85 -28.26 69.43 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.655 -0.702 . . . . 52.2 110.597 177.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -94.95 -33.18 12.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 54.34 110.497 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 1.028 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -62.55 -38.56 90.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.115 -0.493 . . . . 74.32 111.351 -174.751 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.417 ' HB2' HG11 ' A' ' 54' ' ' VAL . 94.1 mt -96.19 0.87 51.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.132 0.492 . . . . 72.24 110.823 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.573 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 5.7 t90 -79.91 3.81 18.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.959 -0.564 . . . . 72.05 110.511 -175.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -102.29 -1.7 30.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 51.34 110.534 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -99.78 -47.5 5.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.909 0.385 . . . . 75.14 110.238 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.9 p -136.47 120.27 17.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.059 -0.518 . . . . 54.22 110.859 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -82.48 6.51 68.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.089 -0.576 . . . . 74.32 112.153 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -87.79 14.0 9.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.856 0.36 . . . . 75.0 110.316 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.9 t 71.87 145.26 0.07 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.537 -0.756 . . . . 65.04 110.252 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.417 HG11 ' HB2' ' A' ' 46' ' ' LEU . 10.5 m -73.12 85.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.906 0.86 . . . . 71.42 110.894 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -127.92 -45.84 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.041 -0.981 . . . . 74.52 109.749 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 p -79.67 1.08 27.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.721 -0.672 . . . . 74.25 110.553 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.611 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 43.0 ttp -141.19 39.88 1.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.396 -0.965 . . . . 70.2 108.396 177.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.13 165.71 23.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.094 -0.957 . . . . 52.24 111.845 -175.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.425 ' CD2' HG12 ' A' ' 92' ' ' ILE . 80.3 mt -104.38 111.18 23.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.641 -0.709 . . . . 73.32 111.097 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.597 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 11.9 mm-40 -81.19 94.63 6.71 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.474 -0.565 . . . . 71.31 109.474 172.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.406 HD13 ' HB3' ' A' ' 88' ' ' PHE . 42.9 tp -83.4 108.98 16.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.182 -0.463 . . . . 72.44 110.34 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.539 ' HE1' ' HE2' ' A' ' 68' ' ' LYS . 58.9 m-85 -105.16 84.95 2.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.744 -0.662 . . . . 73.12 110.605 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -84.78 164.61 18.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.127 -0.488 . . . . 71.34 110.461 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.3 t70 62.24 21.16 12.28 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.503 -0.771 . . . . 65.41 110.126 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.4 m 78.06 -41.09 0.32 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.085 -0.961 . . . . 73.05 113.074 174.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.51 13.15 5.14 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 119.597 -1.287 . . . . 37.55 114.507 -173.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.2 m -119.75 138.0 53.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.756 0.778 . . . . 75.41 110.903 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HE2' ' HE1' ' A' ' 62' ' ' TYR . 15.5 ptpt -92.29 129.67 38.17 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.619 -0.512 . . . . 74.32 109.619 176.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.5 m -122.27 16.04 5.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.224 -0.444 . . . . 73.33 111.548 -174.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.18 60.39 3.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.189 0.519 . . . . 64.45 110.928 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 p -97.81 -14.12 7.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.694 -0.685 . . . . 70.14 110.269 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 59.09 71.62 0.57 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.368 -0.833 . . . . 73.42 111.813 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 p -133.5 18.24 3.96 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.163 -1.051 . . . . 64.41 108.163 173.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.562 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -148.49 23.59 1.01 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.079 -1.419 . . . . 53.21 110.48 -165.252 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.52 -34.55 74.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.465 -0.789 . . . . 74.13 111.585 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.6 m -126.09 21.71 7.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.005 0.431 . . . . 72.12 110.071 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.562 ' CG ' ' HA ' ' A' ' 74' ' ' ASP . 26.8 mmm180 -88.51 134.4 34.34 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.888 -0.597 . . . . 72.43 110.709 -177.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -65.71 114.56 2.98 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.352 2.035 . . . . 51.25 111.684 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.631 ' H ' ' HA ' ' A' ' 36' ' ' GLN . 93.6 mt -61.2 -16.34 43.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 75.14 111.889 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.44 ' H ' ' HG2' ' A' ' 36' ' ' GLN . . . -70.82 -34.16 66.1 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.895 -0.669 . . . . 64.01 111.994 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -71.93 -24.95 61.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.352 0.596 . . . . 74.03 110.232 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -91.36 -2.56 57.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.576 -0.738 . . . . 73.14 110.186 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.7 m 69.71 111.09 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.573 -0.74 . . . . 54.03 110.09 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.97 139.99 93.31 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.874 2.383 . . . . 73.22 113.189 -174.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -101.48 142.61 32.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.863 -0.791 . . . . 62.4 108.863 175.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -89.55 10.0 24.57 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.402 0.519 . . . . 64.43 112.402 -172.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -163.55 67.81 0.22 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 119.813 -1.184 . . . . 37.55 113.513 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.406 ' HB3' HD13 ' A' ' 61' ' ' LEU . 90.7 m-85 -65.64 133.96 52.24 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.684 -0.487 . . . . 64.54 109.684 175.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 62' ' ' TYR . 29.1 mmt180 -104.78 101.34 10.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.068 0.461 . . . . 74.24 111.416 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.9 mt -93.1 95.44 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.743 -0.662 . . . . 71.23 110.441 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.597 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 10.5 t-80 -90.2 100.55 13.36 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.781 -0.452 . . . . 72.12 109.781 177.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.425 HG12 ' CD2' ' A' ' 59' ' ' LEU . 52.4 mt -73.42 115.6 14.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.796 -0.638 . . . . 63.43 110.331 -178.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' A' ' 57' ' ' MET . 46.8 mm -72.66 91.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.23 -0.656 . . . . 74.44 109.23 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.427 ' HB3' ' H ' ' A' ' 23' ' ' ASN . 7.3 t70 -95.42 83.78 3.89 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.716 -0.675 . . . . 65.12 109.979 -176.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 94.4 mt -119.02 -9.56 10.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.34 -0.845 . . . . 64.34 110.462 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 13.2 t70 -72.99 119.71 77.02 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 75.55 110.447 -177.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 22.8 Cg_exo . . . . . 0 C--O 1.251 1.157 0 C-N-CA 123.159 2.573 . . . . 75.33 112.54 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 t70 . . . . . 0 N--CA 1.466 0.367 0 CA-C-O 121.597 0.713 . . . . 74.34 109.603 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.2 p -72.46 129.07 37.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.283 -0.871 . . . . 51.22 111.375 -175.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 18.5 m -75.05 135.84 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.845 -0.616 . . . . 73.01 110.184 177.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -94.22 106.74 18.72 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.953 -0.567 . . . . 71.05 110.403 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.664 HD22 ' HD2' ' A' ' 85' ' ' PHE . 94.8 mt -107.66 157.87 17.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.833 -0.622 . . . . 74.42 110.68 -178.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.773 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 83.0 m-70 -125.71 100.66 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.138 -0.483 . . . . 73.11 109.866 177.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.576 ' HB ' ' HB2' ' A' ' 29' ' ' ALA . 61.5 mt -84.35 98.38 5.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.212 0.53 . . . . 71.32 109.889 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.441 ' HG1' ' HA ' ' A' ' 91' ' ' HIS . 20.8 p -88.22 121.27 30.43 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.5 -0.773 . . . . 72.35 111.539 -175.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -91.34 132.51 36.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.167 -0.679 . . . . 73.03 109.167 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.71 -37.89 22.12 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.659 0.244 . . . . 71.33 111.659 -175.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . 0.428 ' HB2' ' CG ' ' A' ' 94' ' ' ASP . 16.4 t-20 -56.47 -48.36 77.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.373 0.606 . . . . 70.02 109.779 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mp -121.63 96.05 4.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.527 -0.761 . . . . 75.43 109.076 173.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -67.18 -20.67 65.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.105 0.478 . . . . 72.11 110.969 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.5 t -77.04 -4.92 46.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.064 -0.516 . . . . 71.14 110.209 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -104.98 91.79 3.96 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.221 0.534 . . . . 74.43 110.105 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.7 t -108.68 109.56 20.77 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.993 -0.743 . . . . 36.21 108.993 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.576 ' HB2' ' HB ' ' A' ' 19' ' ' ILE . . . -77.05 100.7 5.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.11 0.481 . . . . 70.55 110.234 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.99 110.74 5.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.423 -0.808 . . . . 61.44 109.763 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.03 155.24 29.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.266 0.555 . . . . 70.43 111.724 -172.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.589 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 18.3 ptt180 -148.32 120.26 8.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.333 -0.848 . . . . 70.11 109.81 177.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -133.67 -170.67 2.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.048 -0.523 . . . . 63.35 110.928 -176.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.8 p -94.71 149.7 36.85 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.134 -0.485 . . . . 64.54 110.569 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.448 ' HB3' ' HA3' ' A' ' 80' ' ' GLY . 30.3 Cg_exo -63.32 -15.92 51.27 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.756 2.304 . . . . 65.13 112.622 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -77.0 -14.46 59.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.697 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.1 ttt -67.08 125.98 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.115 0.483 . . . . 62.22 110.958 -178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.1 p -107.15 168.12 9.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.689 -0.687 . . . . 60.35 109.988 176.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.895 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 51.1 t -70.1 -32.68 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.593 -0.521 . . . . 73.31 109.593 176.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.603 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . 33.3 tt0 -56.17 -44.74 79.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.821 -0.627 . . . . 60.01 110.148 174.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.48 -46.9 87.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.478 -0.783 . . . . 60.44 111.957 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.0 p -71.04 -39.89 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 120.907 -0.317 . . . . 73.25 111.666 -176.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.603 ' HE2' ' HA ' ' A' ' 40' ' ' GLU . 47.5 mtmt -59.11 -45.66 90.31 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.33 0.586 . . . . 75.22 110.247 178.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.4 -35.95 71.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.335 -0.848 . . . . 75.25 110.951 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -67.64 -33.14 74.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.121 -0.49 . . . . 72.3 111.01 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.802 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 94.9 mt -77.68 -28.28 51.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.167 0.508 . . . . 53.11 110.224 177.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -70.07 -45.99 65.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.756 -0.656 . . . . 75.4 109.97 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 ptmp? -77.14 -7.46 55.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 72.2 110.6 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.657 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -77.3 -56.03 4.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 51.21 110.51 177.383 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.1 t -151.04 -59.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.314 -0.403 . . . . 71.14 110.365 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.27 30.52 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.222 -0.99 . . . . 65.23 112.555 178.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.802 ' HB ' ' HB3' ' A' ' 46' ' ' LEU . 24.4 m -91.11 84.47 5.71 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.474 0.654 . . . . 74.52 110.059 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.2 m -77.49 -9.64 59.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.298 -0.865 . . . . 53.24 111.143 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.1 t 64.6 80.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.632 -0.713 . . . . 70.2 109.438 -174.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -108.13 -75.11 0.64 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.673 -0.694 . . . . 75.24 111.118 -175.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 t -97.6 7.0 47.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.235 0.54 . . . . 71.13 110.175 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.0 ttp -84.16 94.55 8.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.841 -0.618 . . . . 61.12 109.831 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.528 ' HB1' ' HB ' ' A' ' 93' ' ' ILE . . . -74.74 128.72 36.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.91 -0.586 . . . . 73.33 110.693 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.0 mt -114.88 104.64 12.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.104 -0.498 . . . . 55.24 110.437 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.81 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 50.4 mt-10 -79.49 128.18 33.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.361 -0.382 . . . . 62.13 110.13 176.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.6 tp -91.36 101.51 14.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.304 -0.407 . . . . 74.34 110.281 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.543 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 56.3 m-85 -99.63 138.57 36.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.038 -0.528 . . . . 74.35 110.302 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -88.31 48.88 1.7 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.591 0.71 . . . . 53.12 109.475 175.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.5 t70 69.92 65.56 0.23 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 114.551 -1.204 . . . . 75.23 111.147 -176.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.5 m 56.75 21.75 6.26 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.073 -0.967 . . . . 51.31 113.376 173.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.82 -65.4 1.14 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.321 -0.942 . . . . 44.21 111.571 177.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.2 p -141.65 173.72 11.24 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.616 -0.513 . . . . 74.13 109.616 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.46 ' HE2' ' OH ' ' A' ' 62' ' ' TYR . 73.2 mttt -96.28 90.58 5.51 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.778 -0.453 . . . . 73.31 109.778 174.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.3 m -84.89 41.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.589 0.709 . . . . 74.42 110.526 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.0 80.3 4.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.393 -0.821 . . . . 36.21 111.569 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.99 104.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.409 -0.814 . . . . 52.42 109.099 171.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.8 tp -119.48 96.82 5.36 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.608 -0.724 . . . . 65.3 110.905 -174.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.5 m -89.85 -50.31 6.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.997 -0.547 . . . . 71.12 110.713 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -102.24 100.72 10.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 72.53 110.115 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.895 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 11.0 p-10 -111.31 -16.3 13.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.012 0.434 . . . . 72.53 110.448 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.2 t -83.27 -18.43 39.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.549 0.69 . . . . 75.22 109.676 175.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.0 mmm-85 -88.76 143.98 32.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.243 -0.889 . . . . 73.41 109.757 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.97 115.61 3.05 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.405 2.07 . . . . 75.13 111.372 174.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.06 -36.0 74.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 72.32 111.328 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.448 ' HA3' ' HB3' ' A' ' 35' ' ' PRO . . . -67.44 -17.29 68.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.148 -0.549 . . . . 71.33 113.12 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -70.16 -31.93 69.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.142 0.496 . . . . 73.54 110.077 178.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -91.39 -52.57 4.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.732 -0.667 . . . . 74.02 109.772 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.3 m -155.29 129.17 4.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.782 -0.645 . . . . 54.23 110.072 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.82 112.89 1.2 Allowed 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.233 1.955 . . . . 75.5 111.215 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.664 ' HD2' HD22 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -74.44 90.82 2.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.906 0.86 . . . . 73.42 110.896 -177.816 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -107.9 129.05 55.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.571 -1.195 . . . . 73.41 110.67 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.66 -6.34 65.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.045 -0.597 . . . . 63.11 113.436 173.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -61.08 132.51 54.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.455 0.645 . . . . 74.01 111.085 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.773 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 73.5 mtt180 -108.19 118.61 37.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.205 -0.907 . . . . 72.43 110.505 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.54 102.44 13.52 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.064 -0.717 . . . . 74.14 109.064 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.81 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 9.3 t-80 -88.39 102.72 15.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.908 0.385 . . . . 74.01 110.312 -177.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.7 mt -77.49 111.23 14.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.52 -0.764 . . . . 62.31 110.299 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.528 ' HB ' ' HB1' ' A' ' 58' ' ' ALA . 45.8 mm -74.78 106.2 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.064 0.459 . . . . 73.31 110.119 177.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.428 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 15.1 m-20 -85.18 88.16 7.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.992 -0.549 . . . . 73.4 110.897 -177.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 pp -96.93 4.49 51.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.466 -0.788 . . . . 74.23 109.256 171.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 19.9 t70 -100.84 119.69 57.62 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 114.555 -1.202 . . . . 60.32 109.95 -179.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 15.0 Cg_exo . . . . . 0 C--O 1.249 1.031 0 C-N-CA 122.776 2.317 . . . . 54.42 111.942 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 109.166 -0.679 . . . . 71.53 109.166 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.697 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 68.4 m -159.69 145.33 15.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.669 -0.696 . . . . 52.35 110.42 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.57 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 26.3 m -92.3 135.66 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.379 -0.373 . . . . 72.33 110.513 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -78.01 83.64 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.973 0.416 . . . . 72.41 111.413 -174.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.549 HD13 ' HD2' ' A' ' 33' ' ' PHE . 93.4 mt -81.53 107.67 14.48 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.116 -0.493 . . . . 64.25 109.856 175.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -91.32 113.51 25.79 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.32 -0.4 . . . . 74.43 110.828 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.435 HD11 HD13 ' A' ' 90' ' ' LEU . 39.9 mm -74.62 113.4 13.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.596 -0.729 . . . . 52.42 109.739 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.6 m -118.92 113.73 21.49 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.864 0.364 . . . . 60.21 110.765 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.435 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 3.0 m-70 -84.08 162.32 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.196 -0.457 . . . . 73.13 110.338 176.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.38 -36.54 10.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.95 0.405 . . . . 44.21 110.092 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -71.83 -50.25 31.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.791 -0.64 . . . . 72.41 110.084 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 24' ' ' LEU . 5.7 mp -81.08 107.03 13.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.669 -0.696 . . . . 72.41 109.841 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -68.8 -33.61 74.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 72.15 111.522 -176.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.0 t -112.62 88.66 2.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.061 0.457 . . . . 75.4 109.896 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -134.63 87.05 2.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.099 -0.5 . . . . 74.2 109.989 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 m -93.21 99.25 11.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.739 -0.664 . . . . 64.23 110.112 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.92 106.0 7.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.147 -0.479 . . . . 73.23 111.16 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -87.83 116.18 25.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.83 -0.623 . . . . 71.44 109.419 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.6 78.65 1.39 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.491 -0.559 . . . . 71.1 109.491 176.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 22.0 ptt-85 -81.97 108.6 15.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.477 0.656 . . . . 71.11 110.805 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.549 ' HD2' HD13 ' A' ' 17' ' ' LEU . 96.7 m-85 -97.4 155.84 16.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.275 -0.875 . . . . 75.41 109.963 177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.427 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 15.9 m -62.46 131.84 94.08 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.048 -0.524 . . . . 61.02 110.417 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.697 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 1.5 Cg_endo -76.87 63.68 7.55 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.633 2.222 . . . . 42.4 111.802 -176.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.574 ' HA ' ' H ' ' A' ' 80' ' ' GLY . 7.4 tt0 -160.49 18.58 0.14 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.676 -0.693 . . . . 74.25 109.306 173.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.4 ttt -101.14 146.83 26.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.205 -0.907 . . . . 70.55 109.473 -176.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.7 m -87.33 147.48 25.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.779 0.323 . . . . 74.5 110.737 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 42' ' ' VAL . 22.8 t -64.74 -35.59 75.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 72.34 110.959 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.8 -28.71 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.33 111.463 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.65 86.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 53.43 111.409 -176.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 39' ' ' VAL . 13.9 p -72.33 -30.41 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.99 0.424 . . . . 73.04 109.988 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HE3' HG13 ' A' ' 39' ' ' VAL . 97.0 mttt -65.11 -32.81 74.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 74.32 110.814 176.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.724 ' HG2' ' HE2' ' A' ' 48' ' ' LYS . 36.7 tt0 -58.65 -43.51 89.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.856 -0.611 . . . . 73.2 111.305 -176.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -74.87 -31.29 61.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.71 0.29 . . . . 75.33 110.683 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.7 -35.14 70.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.132 0.491 . . . . 72.13 110.074 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -68.94 -48.82 62.28 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.608 -0.724 . . . . 73.43 110.461 176.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.724 ' HE2' ' HG2' ' A' ' 44' ' ' GLU . 57.4 mtmt -77.07 2.58 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.504 -0.316 . . . . 74.34 111.344 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -73.4 -57.41 4.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.961 0.41 . . . . 70.43 110.462 176.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.5 p -109.08 -7.76 15.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.253 -0.43 . . . . 72.54 111.038 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.85 26.91 57.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 44.14 111.378 -177.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.0 m -130.81 139.94 50.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.853 -0.425 . . . . 62.25 109.853 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.9 m -63.96 137.11 57.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.263 -0.273 . . . . 72.1 110.263 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.6 t -72.51 86.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.206 0.527 . . . . 72.33 110.414 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -127.74 -51.18 1.36 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.741 -0.663 . . . . 54.14 110.549 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.466 ' HB3' ' HG ' ' A' ' 95' ' ' LEU . 12.2 m -59.42 -49.59 77.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.251 -0.432 . . . . 64.13 110.813 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.5 ttm -77.84 100.13 6.21 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.532 -0.544 . . . . 64.54 109.532 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.23 116.59 17.07 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.027 -0.533 . . . . 73.3 111.335 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 78.1 mt -94.33 92.73 7.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.828 -0.623 . . . . 74.14 109.486 176.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.526 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 45.7 mt-10 -82.51 132.51 35.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.325 -0.398 . . . . 65.41 111.096 -176.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.5 tp -95.27 111.02 22.94 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.32 -0.622 . . . . 74.24 109.32 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.536 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 8.1 m-30 -103.99 127.52 51.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.781 0.324 . . . . 74.11 111.066 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.828 ' HB3' ' HB2' ' A' ' 67' ' ' SER . 11.6 t70 -83.94 103.83 13.52 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.26 -1.015 . . . . 74.35 108.26 169.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 28.4 t70 71.97 -64.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 124.222 0.952 . . . . 62.11 110.427 -175.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.3 m -179.63 -46.26 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.532 0.733 . . . . 71.1 111.225 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.63 -19.47 68.28 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.902 -0.666 . . . . 55.5 114.011 -172.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.828 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 17.8 m -104.59 106.61 17.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 117.075 0.437 . . . . 75.13 111.379 -177.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -80.36 88.42 5.57 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.069 -0.715 . . . . 61.01 109.069 175.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.7 m -85.77 100.28 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.877 0.846 . . . . 75.32 111.456 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.22 97.33 8.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.301 -0.863 . . . . 71.11 110.567 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 p -139.05 118.02 13.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.608 -0.724 . . . . 73.14 109.939 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.1 tp -124.31 14.05 8.93 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.8 -0.36 . . . . 74.31 111.257 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.0 m -70.09 -17.51 63.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.035 0.445 . . . . 73.54 111.158 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HA ' ' HG3' ' A' ' 77' ' ' ARG . 5.2 m-20 -108.68 20.4 18.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 55.55 111.148 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.71 -43.62 96.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.039 0.447 . . . . 54.51 110.489 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.5 m -85.32 18.82 2.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.623 -0.717 . . . . 72.34 110.772 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.534 ' HE ' ' HA ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -119.38 151.52 51.43 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-O 120.685 0.278 . . . . 73.3 111.229 -173.302 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -69.04 129.06 17.66 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.02 1.814 . . . . 71.22 110.481 169.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.686 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 20.8 tp -56.49 -26.51 54.48 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.968 0.359 . . . . 75.32 111.968 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.574 ' H ' ' HA ' ' A' ' 36' ' ' GLN . . . -69.58 -29.16 71.57 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.826 -0.702 . . . . 73.11 112.459 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -72.9 -35.01 67.0 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.631 -0.507 . . . . 74.34 109.631 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -72.7 -34.77 67.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.642 -0.708 . . . . 71.45 110.966 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 t 65.3 94.15 0.05 OUTLIER Pre-proline 0 C--N 1.332 -0.157 0 CA-C-N 115.905 -0.589 . . . . 74.22 109.942 -175.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . 0.686 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 61.4 Cg_endo -90.58 -163.81 0.14 Allowed 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.064 2.509 . . . . 73.33 112.516 -177.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -103.07 -172.01 2.04 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.626 -0.509 . . . . 72.35 109.626 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -54.55 -42.65 71.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.104 0.478 . . . . 72.14 110.683 176.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.02 176.19 40.81 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 115.694 -0.685 . . . . 65.22 112.0 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -135.32 155.55 50.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.802 0.334 . . . . 74.04 110.305 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.536 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 17.0 mmt180 -100.48 106.34 17.88 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.893 -0.594 . . . . 75.32 110.106 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . 0.435 HD13 HD11 ' A' ' 19' ' ' ILE . 97.8 mt -90.2 97.96 11.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.99 -0.55 . . . . 72.31 110.132 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 27.2 t-80 -88.0 97.15 10.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.828 -0.624 . . . . 73.34 109.544 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.7 mt -82.12 113.8 21.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.675 -0.693 . . . . 75.03 110.789 -177.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.1 mm -74.94 104.4 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.377 -0.601 . . . . 72.21 109.377 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.435 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 2.5 m-20 -66.93 113.1 4.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.012 -0.54 . . . . 74.4 111.413 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.496 ' O ' ' HD3' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -84.79 9.94 12.78 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.706 -0.85 . . . . 73.43 108.706 174.309 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -105.89 91.12 4.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 114.934 -1.03 . . . . 70.22 108.66 174.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 95' ' ' LEU . 2.6 Cg_endo . . . . . 0 C--O 1.252 1.19 0 C-N-CA 123.428 2.752 . . . . 70.44 112.377 -173.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 121.242 0.544 . . . . 63.3 111.229 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.9 p -66.31 98.63 0.48 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.581 -0.736 . . . . 73.32 111.712 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 30.4 m -75.58 137.94 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.333 -0.617 . . . . 72.03 109.333 172.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -98.12 96.91 8.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.09 0.471 . . . . 71.24 111.089 -176.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -94.42 112.76 24.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.54 -0.754 . . . . 74.05 109.305 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -86.04 117.54 24.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.124 0.488 . . . . 71.41 110.255 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 mm -94.6 129.2 45.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.458 -0.792 . . . . 73.11 110.39 -176.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -130.52 124.05 31.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.313 -0.403 . . . . 50.11 110.223 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.13 138.41 34.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 74.32 110.522 -178.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.63 -22.48 66.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.276 -0.42 . . . . 62.51 111.439 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -77.99 -26.44 48.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 53.23 111.186 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.3 mt -133.71 106.48 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.557 -0.292 . . . . 75.14 110.866 -173.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -73.98 -13.27 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 54.13 111.027 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -87.82 -7.48 57.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.023 0.44 . . . . 72.53 110.205 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -84.59 93.2 8.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.106 0.479 . . . . 73.02 111.014 -174.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 m -123.06 89.34 3.09 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.971 -0.751 . . . . 63.12 108.971 172.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.23 146.42 26.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.748 -0.66 . . . . 63.13 111.089 -174.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -102.8 117.34 34.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.077 -0.511 . . . . 64.32 109.999 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.16 132.65 56.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.224 -0.443 . . . . 61.43 110.356 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.506 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 18.3 ptt180 -112.63 147.3 37.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.887 0.375 . . . . 72.43 111.017 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.436 ' O ' HG21 ' A' ' 15' ' ' VAL . 15.4 t80 -160.75 -179.41 7.57 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.983 -0.747 . . . . 74.14 108.983 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 22.7 p -85.57 139.91 35.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 120.525 0.202 . . . . 63.21 110.818 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 16.6 Cg_exo -67.52 -17.51 48.62 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.306 2.671 . . . . 43.52 112.84 -176.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -82.36 17.4 1.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.013 0.435 . . . . 73.54 110.914 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.4 ttt -74.93 143.86 43.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.95 -0.568 . . . . 73.33 110.688 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 m -118.89 149.04 42.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.056 -0.52 . . . . 60.41 110.001 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.713 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 35.1 t -66.13 -31.4 53.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.378 -0.374 . . . . 65.13 110.355 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 36.1 tt0 -54.34 -45.69 72.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.056 0.455 . . . . 70.21 110.004 174.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.5 95.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.368 -0.833 . . . . 74.03 111.806 -175.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.411 HG11 ' O ' ' A' ' 39' ' ' VAL . 12.4 p -71.75 -31.81 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 120.715 -0.394 . . . . 63.32 110.867 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.606 ' HZ2' ' HB3' ' A' ' 43' ' ' LYS . 9.1 mtpm? -70.27 -41.5 73.35 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.165 -0.309 . . . . 74.22 110.165 177.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 56.8 mt-10 -59.76 -41.32 90.77 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.307 0.575 . . . . 74.14 109.581 174.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -62.83 -50.97 68.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.071 -0.968 . . . . 71.05 110.518 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.86 -40.76 97.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 75.15 111.153 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . 0.717 ' HD1' HG21 ' A' ' 52' ' ' THR . 14.9 t90 -56.78 -46.13 81.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 75.03 111.231 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.29 -29.83 48.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.506 -0.316 . . . . 63.45 111.268 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -75.94 -73.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.586 -0.279 . . . . 71.54 111.312 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 80.2 m -152.62 -58.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 73.44 110.968 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.72 81.44 0.75 Allowed Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.949 -0.569 . . . . 43.43 113.261 -175.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.717 HG21 ' HD1' ' A' ' 47' ' ' TRP . 26.1 m -71.75 -41.84 67.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.143 0.497 . . . . 64.45 109.811 176.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 p -123.39 108.65 12.95 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.697 -0.683 . . . . 64.23 110.634 177.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 m -81.03 97.09 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.501 0.667 . . . . 71.34 110.795 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -108.36 -58.31 2.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.466 -0.788 . . . . 73.21 110.838 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.531 ' CB ' ' HB2' ' A' ' 96' ' ' ASP . 14.4 m -88.22 5.72 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.002 -0.544 . . . . 64.4 111.527 -172.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.6 ttp -133.15 103.86 6.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.001 -0.545 . . . . 73.12 109.78 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.53 ' HB1' ' HB ' ' A' ' 93' ' ' ILE . . . -99.24 131.89 44.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.024 -0.535 . . . . 73.54 110.742 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 77.4 mt -95.62 95.95 8.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.998 -0.546 . . . . 74.21 110.265 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -91.34 114.84 27.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.274 -0.421 . . . . 72.34 110.43 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 68.3 tp -100.01 111.72 24.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.643 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.564 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 0.7 OUTLIER -96.51 152.69 18.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.02 -0.537 . . . . 74.11 109.713 177.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.97 -179.88 4.56 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.162 -0.681 . . . . 74.24 109.162 173.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -68.07 -26.97 66.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 73.34 111.613 -176.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -71.79 -36.67 70.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.437 -0.347 . . . . 72.53 110.357 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.65 25.25 2.91 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.792 -0.718 . . . . 64.33 112.296 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -114.17 150.68 33.84 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.277 -0.268 . . . . 64.53 110.277 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 118.11 22.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.406 0.622 . . . . 73.05 110.469 176.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -110.09 9.9 8.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.672 -0.695 . . . . 71.12 110.85 -177.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.52 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -73.45 103.01 3.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.707 -0.679 . . . . 72.11 111.246 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.93 118.86 14.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.08 -0.509 . . . . 75.03 110.306 176.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.85 75.36 10.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.094 0.473 . . . . 62.34 110.858 -176.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.6 m -118.2 -44.71 2.67 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.853 -0.612 . . . . 72.13 109.658 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.425 ' HB3' ' CG ' ' A' ' 77' ' ' ARG . 5.0 m-20 -115.24 83.34 1.9 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 65.53 109.587 173.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.713 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 3.8 p30 -96.79 -17.28 20.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.734 -0.666 . . . . 62.22 110.848 -176.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.0 m -97.66 19.85 12.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.14 -0.482 . . . . 71.23 110.835 -174.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.425 ' CG ' ' HB3' ' A' ' 74' ' ' ASP . 15.6 mmm-85 -114.09 152.79 46.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 109.703 -0.48 . . . . 72.42 109.703 -178.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.37 101.47 1.26 Allowed 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.113 1.875 . . . . 63.54 111.03 171.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.72 -31.82 73.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 72.1 111.594 -175.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.92 10.97 23.25 Favored Glycine 0 CA--C 1.517 0.192 0 C-N-CA 121.007 -0.616 . . . . 45.15 112.883 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -91.9 -22.21 20.18 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.574 -0.528 . . . . 73.0 109.574 175.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -71.72 -50.59 28.86 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.091 -0.707 . . . . 74.54 109.091 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.0 p -154.61 152.27 25.52 Favored Pre-proline 0 N--CA 1.446 -0.639 0 CA-C-N 115.028 -0.987 . . . . 75.14 108.649 174.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.2 -63.29 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.352 2.035 . . . . 75.13 111.492 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.473 ' HA ' ' CE2' ' A' ' 88' ' ' PHE . 25.1 p90 -175.16 98.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.328 0.585 . . . . 74.32 110.584 174.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.43 -60.56 3.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.758 -0.655 . . . . 62.11 110.401 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.48 53.97 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.668 -0.973 . . . . 64.32 110.668 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 85' ' ' PHE . 78.6 m-85 -68.47 101.31 1.22 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.103 0.478 . . . . 75.11 110.7 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.564 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 11.4 mmt180 -101.99 115.65 30.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.689 -0.687 . . . . 63.22 110.257 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.6 mt -91.87 95.8 10.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.417 0.627 . . . . 65.24 110.749 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -86.25 91.64 8.53 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.616 -0.883 . . . . 72.32 108.616 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.3 mm -71.57 105.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.673 -0.694 . . . . 74.41 110.55 -174.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . 0.53 ' HB ' ' HB1' ' A' ' 58' ' ' ALA . 39.6 mm -80.68 76.17 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 121.614 0.721 . . . . 70.32 109.446 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -88.78 96.24 10.6 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.805 -1.088 . . . . 52.45 108.742 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -99.65 -21.27 15.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.526 -0.761 . . . . 73.44 111.009 -172.001 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.531 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 7.5 t70 -64.62 112.19 7.33 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 72.41 111.245 -172.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 2.5 Cg_endo . . . . . 0 C--O 1.248 1.018 0 C-N-CA 122.943 2.428 . . . . 65.34 111.091 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 121.424 0.631 . . . . 53.44 110.587 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 p -166.23 120.47 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.082 -0.508 . . . . 73.02 110.833 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.3 m -119.04 144.34 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.347 -0.388 . . . . 63.02 110.636 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.717 ' H ' ' HB2' ' A' ' 86' ' ' ASP . 37.7 m80 -89.05 91.84 8.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.098 -0.501 . . . . 72.32 110.356 178.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 75.8 mt -78.14 93.37 4.54 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.308 -0.627 . . . . 64.34 109.308 174.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.682 ' HB2' ' HA ' ' A' ' 89' ' ' ARG . 74.8 m-70 -74.28 82.48 1.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.92 -0.582 . . . . 75.44 111.017 -176.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.514 ' HB ' ' HB1' ' A' ' 29' ' ' ALA . 70.8 mt -62.32 111.14 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.66 -0.496 . . . . 71.54 109.66 175.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.5 m -122.73 142.27 50.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.064 -0.516 . . . . 74.42 110.309 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.49 167.03 11.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.457 -0.338 . . . . 74.54 110.759 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.91 -45.12 14.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.1 -0.5 . . . . 61.45 110.377 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -72.55 -57.46 4.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.868 -0.605 . . . . 73.04 110.464 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 99.0 mt -75.02 102.39 4.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.921 -0.581 . . . . 71.22 110.479 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -63.86 -53.11 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.942 -0.572 . . . . 72.15 110.775 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -89.91 87.73 7.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.157 0.503 . . . . 75.14 109.681 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -127.29 92.1 3.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.748 -0.66 . . . . 74.22 110.174 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 m -85.41 94.15 8.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.631 -0.713 . . . . 71.53 110.311 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.514 ' HB1' ' HB ' ' A' ' 19' ' ' ILE . . . -124.96 26.34 7.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.78 -0.645 . . . . 54.34 110.151 177.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . 0.482 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 9.1 p-10 -72.99 118.89 16.5 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.826 0.822 . . . . 74.31 110.582 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.548 ' HB2' ' CE2' ' A' ' 33' ' ' PHE . . . -115.2 146.2 41.65 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.342 -0.844 . . . . 75.45 110.191 177.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -78.37 98.97 6.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.403 0.621 . . . . 55.33 110.782 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 75.1 m-85 -107.57 154.41 21.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.719 -0.673 . . . . 73.21 110.412 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 36' ' ' GLN . 31.8 m -78.94 143.9 62.74 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 108.905 -0.776 . . . . 72.42 108.905 170.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 10.7 Cg_exo -71.89 30.57 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.18 2.587 . . . . 61.55 113.011 -175.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.426 ' H ' ' C ' ' A' ' 34' ' ' SER . 46.9 mt-30 -115.28 20.54 14.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.04 0.448 . . . . 63.32 110.796 -177.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 56.9 ttp -120.77 106.55 11.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.771 -0.65 . . . . 74.13 109.775 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -78.73 159.0 28.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.057 0.456 . . . . 65.35 111.549 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.7 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 57.8 t -64.88 -28.0 43.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.828 -0.624 . . . . 64.02 110.749 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -54.65 -31.06 56.92 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.229 0.538 . . . . 60.42 110.907 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.5 -40.78 22.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 74.42 111.545 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . 0.432 HG13 ' HA ' ' A' ' 39' ' ' VAL . 10.4 p -69.28 -32.58 54.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 120.868 -0.333 . . . . 55.34 110.898 -176.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -62.03 -44.5 96.58 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.879 0.371 . . . . 75.14 110.03 175.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -64.69 -39.63 93.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.63 -0.714 . . . . 62.31 110.256 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -67.85 -33.25 74.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.384 -0.826 . . . . 74.54 111.015 -176.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.3 mt -79.74 -35.98 38.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.206 0.527 . . . . 71.12 110.336 175.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -63.69 -33.53 75.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.443 -0.799 . . . . 74.21 110.663 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -94.46 5.74 50.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.245 -0.434 . . . . 75.33 111.124 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HZ1' ' HB2' ' A' ' 49' ' ' LYS . 3.3 ttmp? -100.67 -60.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.893 0.378 . . . . 74.41 110.397 177.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.5 m -99.12 -11.46 21.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.356 -0.384 . . . . 71.21 111.103 -176.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.06 35.54 90.73 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.749 -0.739 . . . . 52.24 111.82 -177.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.0 m -107.85 133.59 52.0 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.27 -0.27 . . . . 71.35 110.27 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.3 m -68.3 123.99 22.26 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.927 -0.397 . . . . 63.2 109.927 176.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.36 2.93 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 112.348 0.499 . . . . 73.52 112.348 -172.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -71.37 -15.37 62.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.242 0.544 . . . . 75.22 110.623 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.3 m -95.74 0.65 52.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.22 -0.446 . . . . 54.44 110.65 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.7 ttp -142.1 110.77 6.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 55.24 111.024 -174.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.04 148.78 28.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.376 -0.375 . . . . 64.21 110.027 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.2 mt -97.72 109.57 22.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.44 0.638 . . . . 74.22 110.761 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.685 ' HB3' ' HB3' ' A' ' 91' ' ' HIS . 2.4 tm-20 -90.03 153.61 20.44 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.849 -1.069 . . . . 74.12 108.779 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.526 HD12 ' HB3' ' A' ' 88' ' ' PHE . 21.3 tp -132.35 104.64 6.83 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.185 -0.606 . . . . 65.3 112.068 -171.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.562 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 56.5 m-85 -87.04 146.47 26.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.62 -0.718 . . . . 74.42 109.126 171.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -115.89 153.5 31.41 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.529 -0.545 . . . . 75.31 109.529 174.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -90.97 23.38 3.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.643 0.609 . . . . 73.43 112.643 -174.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.0 t -122.87 -54.89 1.82 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.933 0.397 . . . . 70.44 110.118 175.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.71 -86.33 1.91 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 121.012 -0.614 . . . . 62.34 112.303 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.8 m -160.7 -76.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.944 0.402 . . . . 75.32 111.379 -177.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.408 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 4.4 mtpm? -138.9 102.42 4.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 54.44 109.854 -170.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 2.7 m -127.79 101.45 7.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.284 0.564 . . . . 75.05 110.817 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.75 110.18 18.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.884 -0.598 . . . . 72.42 110.53 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.49 ' HB ' ' OD1' ' A' ' 74' ' ' ASP . 46.9 t -68.27 -59.78 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.628 -0.508 . . . . 60.25 109.628 177.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp 71.51 5.54 5.44 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.626 -0.716 . . . . 63.1 111.253 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.0 t -103.47 -6.68 21.58 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.231 -1.025 . . . . 73.41 108.231 172.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.49 ' OD1' ' HB ' ' A' ' 71' ' ' VAL . 9.0 p-10 -93.62 -15.82 24.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.449 -1.251 . . . . 72.25 110.525 -178.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.7 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 9.2 p-10 -61.57 -33.46 73.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.823 -0.626 . . . . 72.43 111.308 -175.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 p -105.5 10.51 33.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.681 -0.691 . . . . 65.24 111.138 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -118.31 159.77 42.18 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.431 -0.581 . . . . 61.24 109.431 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.04 110.38 0.67 Allowed 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 121.896 1.73 . . . . 74.13 110.769 172.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.6 tp -58.59 -27.12 64.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.385 -0.371 . . . . 75.53 111.642 -172.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.93 -10.43 83.85 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 121.185 -0.531 . . . . 73.41 112.654 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -78.31 -42.52 30.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.535 -0.543 . . . . 75.05 109.535 176.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -77.47 -41.66 38.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.827 -0.624 . . . . 72.15 110.233 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.1 t 67.79 91.37 0.07 OUTLIER Pre-proline 0 C--O 1.234 0.259 0 CA-C-N 115.807 -0.633 . . . . 53.45 111.004 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -90.33 177.09 2.44 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.14 2.56 . . . . 61.31 112.627 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.522 ' H ' ' HE2' ' A' ' 88' ' ' PHE . 59.3 m-85 -95.58 175.96 6.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.926 -0.579 . . . . 74.11 109.724 177.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.717 ' HB2' ' H ' ' A' ' 16' ' ' HIS . 3.7 p-10 -95.38 -9.26 33.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.795 0.331 . . . . 61.15 110.69 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.03 64.27 2.72 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.799 -0.715 . . . . 45.22 112.248 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.526 ' HB3' HD12 ' A' ' 61' ' ' LEU . 49.7 m-85 -135.1 141.46 46.03 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.046 0.451 . . . . 74.22 110.862 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ARG . . . . . 0.682 ' HA ' ' HB2' ' A' ' 18' ' ' HIS . 80.2 mtt85 -110.16 117.87 34.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.032 -0.531 . . . . 74.43 110.888 178.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.43 90.81 4.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.187 -0.672 . . . . 71.34 109.187 174.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' HIS . . . . . 0.685 ' HB3' ' HB3' ' A' ' 60' ' ' GLU . 19.1 t-160 -86.03 97.83 10.5 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.866 -0.607 . . . . 54.41 109.833 -175.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.42 114.13 3.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.547 -0.752 . . . . 74.41 110.488 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.68 94.73 4.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.989 0.423 . . . . 73.52 110.7 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -94.48 107.84 19.8 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.13 -0.693 . . . . 74.32 109.13 171.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.06 -74.48 0.13 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.897 -0.592 . . . . 72.0 110.223 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 3.5 p-10 -128.05 124.0 22.92 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 116.316 -0.402 . . . . 72.41 110.128 177.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 3.0 Cg_exo . . . . . 0 C--O 1.249 1.062 0 C-N-CA 123.051 2.5 . . . . 73.52 112.006 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 109.943 -0.392 . . . . 64.33 109.943 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -108.07 -148.76 14.05 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.852 -0.69 . . . . 64.02 111.929 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -145.02 123.67 12.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.96 0.41 . . . . 74.45 110.646 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -86.99 132.73 33.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 75.12 110.493 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -139.35 92.47 2.58 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.413 0.625 . . . . 71.11 110.041 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -108.79 114.39 28.14 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.604 -0.726 . . . . 74.4 110.626 -176.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -106.59 110.12 22.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.999 -0.546 . . . . 74.23 110.319 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.72 106.27 15.01 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.251 -0.648 . . . . 71.32 109.251 177.256 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 p -60.79 118.05 6.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.674 . . . . 60.4 112.473 -170.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -156.43 104.86 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.132 -0.94 . . . . 72.44 110.073 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.0 68.87 2.53 Favored Glycine 0 C--O 1.227 -0.3 0 C-N-CA 120.925 -0.655 . . . . 64.42 111.759 176.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -79.33 155.58 28.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.834 0.35 . . . . 63.14 110.681 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -103.98 100.57 10.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.015 0.436 . . . . 74.33 110.827 -176.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.589 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 70.5 m -153.88 141.74 20.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.648 -0.705 . . . . 64.15 109.989 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.491 HG23 ' HG ' ' A' ' 17' ' ' LEU . 20.0 m -93.8 162.19 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.438 -0.346 . . . . 74.45 110.63 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -103.68 76.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.927 0.394 . . . . 75.33 110.238 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.491 ' HG ' HG23 ' A' ' 15' ' ' VAL . 91.8 mt -71.56 117.43 13.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.111 -0.495 . . . . 71.5 110.757 -177.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -81.23 93.75 6.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 63.25 110.299 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.464 HD13 ' HE2' ' A' ' 33' ' ' PHE . 65.1 mt -84.35 110.46 18.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.727 -0.67 . . . . 62.23 110.487 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.1 p -114.46 117.44 31.0 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.173 0.511 . . . . 71.21 110.978 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -84.84 120.97 27.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.679 -0.691 . . . . 75.33 109.348 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.72 -14.04 28.43 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.318 0.858 . . . . 50.05 113.318 -172.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -70.61 -20.54 62.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.327 . . . . 75.13 110.355 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mp -113.12 152.22 29.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.932 -0.576 . . . . 75.34 109.932 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -66.71 -52.38 45.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.226 0.536 . . . . 72.22 110.342 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.0 t -135.46 100.48 4.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.01 -0.541 . . . . 75.24 110.166 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -102.56 91.08 4.06 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.984 -0.747 . . . . 75.14 108.984 176.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.9 p -82.04 85.73 6.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.202 0.525 . . . . 74.45 111.435 -175.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.48 85.19 2.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.078 -0.51 . . . . 43.24 110.754 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.487 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 13.7 p-10 -91.28 87.76 6.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.177 0.989 . . . . 75.51 109.695 175.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.75 134.55 33.57 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.881 -1.054 . . . . 72.13 110.928 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 32' ' ' ARG . 6.2 ptm180 -71.85 115.72 11.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.618 -0.719 . . . . 65.24 110.694 175.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.464 ' HE2' HD13 ' A' ' 19' ' ' ILE . 63.4 m-85 -124.68 136.05 53.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.562 -0.745 . . . . 75.34 109.884 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -65.39 121.98 77.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.265 -0.642 . . . . 63.02 109.265 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.589 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 57.0 Cg_endo -71.74 13.13 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.02 2.48 . . . . 70.11 113.646 -173.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -93.42 1.61 56.8 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.543 -0.539 . . . . 71.41 109.543 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.6 ttm -87.32 130.11 34.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.571 -0.74 . . . . 73.23 110.315 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.6 p -92.11 162.81 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.007 0.432 . . . . 61.54 111.065 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.447 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 47.6 t -66.29 -34.56 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.564 -0.532 . . . . 75.23 109.564 175.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.77 -43.29 85.41 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.408 -0.814 . . . . 73.24 111.131 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.26 -48.55 72.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.967 -0.561 . . . . 75.43 111.868 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.6 p -67.01 -29.01 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.618 -0.265 . . . . 62.2 111.362 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 39' ' ' VAL . 34.2 mmtp -65.42 -60.29 3.12 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.774 0.321 . . . . 51.14 111.044 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.565 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 40.0 mt-10 -67.71 -24.58 65.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.389 . . . . 74.21 111.887 -176.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -60.5 -43.81 96.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.895 0.378 . . . . 74.43 110.587 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.3 mt -82.47 -30.77 29.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.217 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.565 ' HB3' ' HA ' ' A' ' 44' ' ' GLU . 59.2 t90 -60.12 -49.63 76.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.656 -0.702 . . . . 73.43 111.088 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.561 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 22.1 ptmt -69.35 -25.39 64.17 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.076 0.465 . . . . 70.13 110.914 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -81.03 -50.58 9.49 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.925 -0.579 . . . . 61.3 111.225 -174.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.4 m -93.23 -32.86 14.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.548 -0.296 . . . . 73.43 111.642 -176.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.15 53.64 8.93 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.65 -0.786 . . . . 61.44 112.073 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -146.01 159.37 43.35 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.398 -0.223 . . . . 74.5 110.398 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.0 p -89.61 119.06 29.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.198 0.523 . . . . 71.42 110.73 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.0 m -89.89 42.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.361 0.6 . . . . 74.14 111.171 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -82.28 -35.06 28.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.946 -0.57 . . . . 72.25 111.157 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -83.49 5.07 25.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.015 0.436 . . . . 73.1 111.611 -177.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 42.7 ttm -118.27 94.34 4.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.031 -0.532 . . . . 61.21 109.66 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.558 ' HB1' ' HB ' ' A' ' 93' ' ' ILE . . . -91.72 154.65 18.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.125 -0.488 . . . . 72.41 111.167 -175.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.65 96.63 5.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.144 -0.48 . . . . 72.44 110.761 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . 13.3 mm-40 -82.58 91.41 6.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.957 -0.565 . . . . 74.45 109.947 176.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.527 ' HB3' ' HB3' ' A' ' 70' ' ' ALA . 56.8 tp -82.34 101.64 10.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.346 -0.843 . . . . 72.4 110.307 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.41 ' CZ ' ' HB3' ' A' ' 60' ' ' GLU . 49.1 m-85 -98.52 159.35 15.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.077 0.465 . . . . 73.52 111.081 -178.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -104.24 -164.57 1.07 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.619 -0.718 . . . . 73.23 109.435 175.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -79.04 -27.48 43.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.723 0.297 . . . . 64.45 110.722 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.9 t -71.14 -45.66 63.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.992 0.425 . . . . 74.13 110.065 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.23 33.46 0.72 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.453 -0.88 . . . . 72.32 112.299 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 m -124.51 157.92 34.16 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.826 -0.435 . . . . 70.43 109.826 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -85.17 111.15 19.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.448 0.642 . . . . 65.54 110.065 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.2 m -86.43 -6.11 10.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.668 -0.696 . . . . 63.52 111.001 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.527 ' HB3' ' HB3' ' A' ' 61' ' ' LEU . . . -70.27 110.38 5.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.035 -0.53 . . . . 74.42 109.79 174.66 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 12.3 p -111.26 0.66 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.496 0.665 . . . . 70.4 109.926 -176.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 73.01 -4.34 2.2 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.141 -0.936 . . . . 72.0 111.531 176.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 m -85.68 -18.03 34.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.62 -0.882 . . . . 75.51 108.62 171.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -76.61 -3.8 39.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.254 -1.339 . . . . 64.53 110.897 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -60.62 -25.95 66.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.674 -0.694 . . . . 72.01 111.208 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.8 p -129.64 22.71 5.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 74.23 111.162 -174.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -122.97 135.9 26.32 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.379 -0.373 . . . . 74.32 110.311 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.466 ' HG2' ' HB3' ' A' ' 81' ' ' PHE . 15.2 Cg_endo -59.66 116.66 3.45 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.344 2.029 . . . . 62.44 111.398 174.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.9 mt -55.2 -40.25 70.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.055 -0.52 . . . . 72.44 111.558 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -78.09 0.59 72.74 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.029 -0.605 . . . . 73.31 112.866 -176.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.466 ' HB3' ' HG2' ' A' ' 78' ' ' PRO . 69.9 t80 -108.4 -15.51 14.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.152 0.501 . . . . 73.55 109.754 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -92.68 -54.78 3.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.879 -0.601 . . . . 73.43 111.06 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.445 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 46.7 m -136.15 131.38 18.71 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.778 0.323 . . . . 71.43 111.446 -177.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.445 ' HD3' ' HA ' ' A' ' 83' ' ' SER . 4.2 Cg_exo -80.53 95.04 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.205 2.603 . . . . 45.2 112.349 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -137.78 137.38 38.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.968 -0.56 . . . . 74.02 109.871 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -62.77 -39.61 94.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.106 0.479 . . . . 70.1 110.858 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -162.4 129.5 2.08 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.746 -0.74 . . . . 54.3 112.025 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.481 ' HB3' HD11 ' A' ' 61' ' ' LEU . 97.3 m-85 -87.46 161.61 17.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.754 0.311 . . . . 71.01 110.613 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 -94.37 101.82 13.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.085 -0.507 . . . . 74.02 110.819 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 66.2 mt -97.19 96.52 8.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.36 -0.382 . . . . 70.41 110.394 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -98.4 101.35 12.77 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.983 -0.747 . . . . 61.22 108.983 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.8 mt -73.33 111.53 8.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.694 -0.684 . . . . 71.43 111.085 -175.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.558 ' HB ' ' HB1' ' A' ' 58' ' ' ALA . 48.9 mm -82.31 82.63 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 108.927 -0.768 . . . . 61.31 108.927 175.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -89.05 94.55 9.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.709 -1.132 . . . . 70.14 109.846 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.504 ' HG ' HG23 ' A' ' 93' ' ' ILE . 78.8 mt -97.75 16.38 20.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.664 -0.698 . . . . 74.43 110.883 -176.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -115.53 83.58 11.13 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 121.181 0.515 . . . . 71.14 109.746 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.437 ' HD3' ' O ' ' A' ' 95' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.905 0 C-N-CA 123.138 2.559 . . . . 51.55 111.521 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.4 mtp . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.948 0.404 . . . . 75.15 110.374 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.42 -145.48 15.18 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.321 -0.712 . . . . 73.04 111.321 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 58.0 70.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.056 0.455 . . . . 74.24 111.637 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -137.19 27.06 2.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.028 -0.533 . . . . 74.34 109.564 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -80.29 78.87 6.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.447 -0.797 . . . . 70.04 110.954 -174.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -133.87 144.99 49.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.072 175.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -149.57 105.85 3.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.966 -0.561 . . . . 73.41 109.728 -176.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.8 p-80 -125.72 119.15 27.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.525 -0.546 . . . . 71.34 109.525 174.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -148.53 127.74 12.92 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.652 -0.499 . . . . 72.0 109.652 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -80.54 76.15 7.39 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.323 0.582 . . . . 63.44 109.79 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 141.98 -148.5 20.21 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.42 -0.809 . . . . 64.41 111.339 -177.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -144.84 137.34 26.27 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.741 0.27 . . . . 64.3 110.543 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -165.07 98.73 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.994 0.426 . . . . 75.41 110.338 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.5 m -160.09 141.16 12.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.92 -0.582 . . . . 75.15 109.953 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.9 m -105.48 152.31 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.766 0.317 . . . . 75.32 110.303 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -91.87 93.58 8.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.222 -0.445 . . . . 71.41 110.237 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -74.74 104.92 5.58 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.593 -0.521 . . . . 72.54 109.593 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -72.38 101.43 2.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.062 -0.517 . . . . 74.41 110.212 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.0 mt -87.14 118.5 33.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.977 -0.556 . . . . 74.3 110.348 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.4 m -121.16 98.37 5.95 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.055 -0.521 . . . . 72.4 109.894 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -76.67 124.02 27.02 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.586 -0.524 . . . . 64.11 109.586 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.502 ' HB1' HD13 ' A' ' 93' ' ' ILE . . . -56.81 -37.43 71.18 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.04 0.385 . . . . 74.12 112.04 -176.584 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.561 ' ND2' ' HA ' ' A' ' 97' ' ' PRO . 3.2 m-20 -59.9 -33.5 71.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 65.02 110.899 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.4 mt -127.26 86.1 2.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.298 -0.63 . . . . 50.44 109.298 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.44 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 13.9 ptpt -71.63 -2.03 15.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.216 -0.447 . . . . 63.33 111.979 -173.377 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 t -98.96 4.73 47.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.966 0.412 . . . . 63.31 110.013 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -78.9 107.58 11.74 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.475 -0.565 . . . . 72.14 109.475 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 p -118.65 23.77 11.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.829 -0.623 . . . . 64.22 111.193 -175.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.47 113.92 21.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.154 0.502 . . . . 70.22 111.278 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -90.51 150.5 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.836 -0.62 . . . . 74.32 109.929 176.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.61 139.99 52.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.075 0.464 . . . . 63.11 111.517 -176.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -81.18 112.77 18.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.619 -0.719 . . . . 75.31 110.911 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -140.18 169.64 17.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.922 0.391 . . . . 74.12 110.781 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 45.8 p -105.23 123.68 38.91 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.642 -0.708 . . . . 65.41 110.094 178.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_exo -66.73 -8.38 21.08 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.055 2.504 . . . . 60.3 112.318 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -77.67 3.55 13.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 74.31 111.138 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.8 ttm -91.14 146.58 23.72 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.776 -0.453 . . . . 64.34 109.776 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 p -95.36 151.72 19.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.121 0.486 . . . . 45.51 111.001 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.99 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 18.4 t -78.3 -8.28 11.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.83 0.824 . . . . 74.21 109.76 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.462 ' HB2' ' HA ' ' A' ' 76' ' ' SER . 27.6 tt0 -66.03 -42.53 89.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.575 -0.739 . . . . 62.43 110.321 176.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.82 -31.16 45.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.881 -0.6 . . . . 72.32 112.112 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.21 -25.89 36.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 111.483 0.179 . . . . 73.11 111.483 -174.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -63.09 -51.74 65.4 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.799 0.333 . . . . 71.24 110.386 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.549 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 36.6 tt0 -68.54 -30.63 69.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.489 . . . . 74.43 110.101 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.99 -41.7 88.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.895 -0.593 . . . . 72.54 110.877 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.2 mt -81.64 -24.95 36.04 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.994 0.426 . . . . 73.23 110.597 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -69.53 -54.44 14.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.83 -0.623 . . . . 72.42 110.789 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.549 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 56.4 pttt -81.98 -6.85 59.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.942 0.401 . . . . 70.3 111.361 -176.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -80.49 -43.07 21.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.064 0.459 . . . . 74.22 110.306 176.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.7 t -160.29 -37.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.83 -0.623 . . . . 71.34 110.249 -176.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.19 50.03 0.84 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.738 -0.744 . . . . 38.4 112.208 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.3 m -67.94 -22.32 65.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 75.31 111.098 -179.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 35.8 t 72.68 160.21 0.23 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.793 -0.639 . . . . 73.24 111.168 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -106.15 -1.22 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.876 -0.602 . . . . 71.31 110.747 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -99.47 -28.64 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 72.22 110.641 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -86.8 10.81 14.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.212 0.529 . . . . 71.12 110.259 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.8 ttp -147.07 132.43 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.84 -0.618 . . . . 74.35 110.208 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.579 ' HB1' ' HB ' ' A' ' 93' ' ' ILE . . . -117.12 141.77 47.85 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.774 -0.454 . . . . 75.12 109.774 175.759 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.4 mt -105.93 95.53 5.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.318 -0.401 . . . . 74.44 110.868 -174.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.757 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 24.3 mm-40 -79.6 88.11 5.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 61.14 110.252 176.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 56.1 tp -79.62 104.16 10.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.65 -0.705 . . . . 64.4 110.221 178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.416 ' CZ ' ' HB3' ' A' ' 60' ' ' GLU . 23.3 m-85 -105.01 139.66 39.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.008 -0.542 . . . . 73.54 111.127 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.402 ' HA ' ' CD1' ' A' ' 88' ' ' PHE . 15.8 t70 -74.47 88.82 2.12 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.916 -0.772 . . . . 63.11 108.916 176.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.9 t70 57.97 31.01 20.05 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.249 -0.887 . . . . 75.32 110.445 -177.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.606 ' OG ' ' HD2' ' A' ' 89' ' ' ARG . 74.1 m 69.54 0.95 3.14 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.25 -0.886 . . . . 73.33 112.907 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.92 -67.54 1.3 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.365 -0.921 . . . . 44.44 111.673 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.1 m -96.9 171.4 8.53 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.828 -0.434 . . . . 52.35 109.828 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -115.61 126.23 53.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.118 0.485 . . . . 73.21 110.412 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.3 m -125.45 17.66 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 74.01 111.114 -173.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.08 91.29 4.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.109 -0.496 . . . . 53.52 111.068 -179.215 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -102.03 -40.74 7.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.411 -0.359 . . . . 75.41 110.918 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 54.86 67.84 0.95 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.273 0.558 . . . . 74.15 111.194 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.7 t -134.34 6.01 3.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.159 0.981 . . . . 72.21 108.492 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -146.3 19.35 1.38 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.233 -1.349 . . . . 63.5 109.492 -172.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.99 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 7.7 p-10 -69.19 -17.31 63.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.323 -0.853 . . . . 73.55 111.141 -174.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.462 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 16.8 m -79.49 2.83 20.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.131 -0.486 . . . . 72.12 110.714 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.8 mmm180 -117.93 157.1 49.26 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 54.24 109.801 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.417 ' HB2' ' HB2' ' A' ' 81' ' ' PHE . 9.6 Cg_exo -72.63 118.05 5.41 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.471 2.114 . . . . 73.51 111.326 174.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.94 -37.47 79.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.878 0.371 . . . . 61.13 111.135 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.02 -3.65 88.31 Favored Glycine 0 CA--C 1.518 0.28 0 CA-C-N 116.115 -0.493 . . . . 51.13 113.058 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.417 ' HB2' ' HB2' ' A' ' 78' ' ' PRO . 85.5 t80 -76.96 -43.65 34.27 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.549 -0.537 . . . . 74.14 109.549 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -89.21 -54.74 3.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.615 -0.72 . . . . 75.11 109.618 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.9 t 57.82 88.18 0.13 Allowed Pre-proline 0 C--O 1.234 0.281 0 CA-C-N 115.238 -0.892 . . . . 74.11 111.913 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.46 -47.99 2.68 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.155 1.903 . . . . 73.3 110.061 171.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -144.01 -53.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.945 -1.025 . . . . 75.2 109.003 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.1 t70 69.5 159.3 0.18 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.213 -0.903 . . . . 73.45 111.495 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.65 38.88 8.51 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 110.875 -0.89 . . . . 38.4 110.875 -173.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.402 ' CD1' ' HA ' ' A' ' 63' ' ' ASP . 57.8 m-85 -83.5 -178.44 7.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.263 0.554 . . . . 74.24 111.259 -175.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.606 ' HD2' ' OG ' ' A' ' 65' ' ' SER . 71.5 mtt180 -122.32 138.62 54.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.042 -0.725 . . . . 74.04 109.042 177.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.72 108.75 20.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.787 0.327 . . . . 75.43 111.569 -172.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.757 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 9.9 t-80 -88.2 96.26 10.48 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.827 -0.805 . . . . 71.41 108.827 174.137 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.7 mm -79.9 113.67 19.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.945 -0.57 . . . . 74.43 110.816 -173.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.579 ' HB ' ' HB1' ' A' ' 58' ' ' ALA . 38.4 mm -94.39 120.3 43.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.674 -0.693 . . . . 72.55 110.222 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -99.11 149.99 22.48 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.765 -0.828 . . . . 74.03 108.765 175.52 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 tp -76.08 -23.34 54.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.821 0.343 . . . . 74.0 110.841 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.423 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 35.0 t70 -127.83 117.56 20.89 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 120.71 0.291 . . . . 54.14 110.77 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.561 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 4.3 Cg_exo . . . . . 0 C--O 1.246 0.904 0 C-N-CA 123.184 2.589 . . . . 54.21 112.13 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.091 0.472 . . . . 74.52 110.343 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.22 122.92 0.72 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.174 -0.77 . . . . 75.21 111.174 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -124.39 175.28 7.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.199 0.523 . . . . 74.43 111.224 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -141.75 50.35 1.56 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.419 -0.81 . . . . 74.43 109.187 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -73.41 -29.58 62.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.103 -0.953 . . . . 72.25 111.339 -175.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -67.82 130.19 42.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.58 -0.282 . . . . 74.22 110.574 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -112.08 163.99 13.66 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.808 -0.441 . . . . 75.41 109.808 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -122.69 -72.14 0.7 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.526 -0.546 . . . . 72.24 109.526 175.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.3 m 51.81 -156.4 0.14 Allowed 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.692 0.62 . . . . 71.42 111.174 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -129.89 83.13 2.11 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.189 -0.671 . . . . 74.52 109.189 171.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.84 121.42 5.89 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.338 -0.846 . . . . 45.01 112.949 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -110.76 -1.19 16.75 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.908 0.861 . . . . 74.44 108.966 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -106.79 157.0 18.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.357 -0.838 . . . . 53.44 110.407 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.6 p 62.13 165.81 0.1 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.318 1.047 . . . . 73.02 112.757 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 27.8 m -125.15 144.0 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.888 -0.597 . . . . 63.02 110.683 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -92.76 110.39 21.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.093 -0.503 . . . . 72.32 111.196 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.6 mt -108.59 139.17 43.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.776 -0.647 . . . . 64.34 109.671 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -93.24 98.56 11.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.527 -0.306 . . . . 75.44 110.238 -176.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.1 mt -81.37 132.75 30.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.338 -0.392 . . . . 71.54 110.869 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.688 ' HA ' ' HD2' ' A' ' 27' ' ' PHE . 17.3 m -139.86 127.82 22.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.345 -0.389 . . . . 74.42 110.216 176.322 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.47 149.28 25.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.173 -0.677 . . . . 74.54 109.173 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.31 -45.75 93.15 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.682 0.623 . . . . 61.45 112.682 -172.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -82.02 -11.32 58.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.239 0.542 . . . . 73.04 110.907 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.7 mt -93.49 113.73 25.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.054 0.454 . . . . 71.22 110.789 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -72.17 -53.79 11.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.811 -0.632 . . . . 72.15 110.127 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -98.25 96.05 7.81 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.764 -0.458 . . . . 75.14 109.764 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.688 ' HD2' ' HA ' ' A' ' 20' ' ' THR . 27.9 t80 -152.74 110.86 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.939 -0.573 . . . . 74.22 109.81 176.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -143.06 60.91 1.41 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.824 -0.625 . . . . 71.53 109.523 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.12 118.99 11.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.737 -0.665 . . . . 54.34 111.435 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -75.18 97.51 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.989 -0.551 . . . . 74.31 109.998 175.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.86 143.85 48.69 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.164 -0.471 . . . . 75.45 110.636 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.411 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 19.0 ptt180 -113.1 111.75 22.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.419 0.628 . . . . 55.33 110.406 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -105.1 165.03 11.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.582 -0.735 . . . . 73.21 109.922 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.1 p -87.44 146.36 39.5 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 110.117 -0.327 . . . . 72.42 110.117 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.542 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 42.0 Cg_endo -68.56 3.54 2.17 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.075 2.517 . . . . 61.55 112.803 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -97.91 4.33 49.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.288 -0.415 . . . . 63.32 110.643 -177.621 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 60.3 ttp -82.71 111.77 18.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.308 -177.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.3 m -93.71 142.33 27.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.668 -0.696 . . . . 65.35 109.136 172.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.623 ' HB ' ' HA ' ' A' ' 75' ' ' ASP . 41.7 t -64.54 -33.91 66.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 112.041 0.385 . . . . 64.02 112.041 -173.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.534 ' HB2' ' HB2' ' A' ' 75' ' ' ASP . 37.1 tt0 -68.37 -33.58 74.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.131 0.491 . . . . 60.42 109.735 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.39 -39.14 74.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 74.42 110.96 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.59 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.5 p -75.45 -30.27 22.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.606 -0.438 . . . . 55.34 110.703 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.865 ' HD3' ' HB ' ' A' ' 54' ' ' VAL . 87.6 mttt -63.74 -35.9 82.09 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.737 0.303 . . . . 75.14 110.539 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.58 -41.23 80.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.007 -0.542 . . . . 62.31 109.874 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -88.73 8.65 27.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.918 -0.583 . . . . 74.54 111.389 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.59 ' HG ' ' O ' ' A' ' 42' ' ' VAL . 89.3 mt -98.05 -42.57 7.43 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.048 -0.723 . . . . 71.12 109.048 170.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -64.88 -38.49 91.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.315 -0.857 . . . . 74.21 109.85 175.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -79.27 -4.51 51.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.942 -0.572 . . . . 75.33 111.892 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.621 ' HZ1' ' HB2' ' A' ' 49' ' ' LYS . 4.1 ttmp? -107.58 -59.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.971 0.415 . . . . 74.41 111.321 -177.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 60.8 m -97.99 -23.42 15.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.296 -0.411 . . . . 71.21 111.207 -175.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.48 67.97 1.6 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.548 -0.834 . . . . 52.24 111.411 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.6 m -146.32 135.56 22.78 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.863 -0.421 . . . . 71.35 109.863 -177.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 m -56.4 127.88 33.21 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.453 0.471 . . . . 63.2 109.914 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.865 ' HB ' ' HD3' ' A' ' 43' ' ' LYS . 26.9 m -70.8 3.68 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.091 -0.504 . . . . 73.52 112.012 -172.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -93.95 -32.05 14.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.074 -0.512 . . . . 75.22 110.778 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.2 m -75.94 -37.76 58.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 54.44 111.774 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.56 ' HE3' HD11 ' A' ' 46' ' ' LEU . 47.0 ttp -98.91 103.54 15.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.099 0.476 . . . . 55.24 110.634 -177.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -105.44 -174.84 2.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.716 -0.675 . . . . 64.21 110.464 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.8 mt -130.79 125.68 34.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 74.22 111.194 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.872 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 9.0 mm-40 -87.33 97.18 10.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.796 -0.638 . . . . 74.12 110.027 172.641 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.664 ' HG ' HG22 ' A' ' 69' ' ' VAL . 43.1 tp -83.94 104.66 14.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.038 -0.528 . . . . 65.3 110.13 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.564 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 27.4 m-85 -101.12 141.17 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.02 -0.536 . . . . 74.42 111.126 -179.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -117.19 -178.56 3.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 75.31 109.768 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -97.73 -20.0 17.87 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.015 0.376 . . . . 73.43 112.015 -176.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -84.86 -48.55 9.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.125 0.488 . . . . 70.44 110.177 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.93 -110.94 3.33 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.935 -0.65 . . . . 62.34 111.776 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.548 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 67.2 m -152.67 -70.82 0.15 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.358 -0.238 . . . . 75.32 110.358 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -106.22 114.31 28.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.329 -0.248 . . . . 54.44 110.329 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.664 HG22 ' HG ' ' A' ' 61' ' ' LEU . 2.7 m -108.8 28.8 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.968 0.413 . . . . 75.05 110.553 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.7 89.42 2.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.846 -0.615 . . . . 72.42 110.874 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.553 HG23 ' HZ ' ' A' ' 82' ' ' PHE . 62.9 t -68.01 -38.79 80.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.842 -0.617 . . . . 60.25 109.909 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 tp 70.77 19.23 5.99 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 115.162 -0.926 . . . . 63.1 111.129 172.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 t -109.49 -2.93 17.34 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.837 -1.171 . . . . 73.41 107.837 171.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.67 6.15 7.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 113.786 -1.552 . . . . 72.25 111.904 -177.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.623 ' HA ' ' HB ' ' A' ' 39' ' ' VAL . 1.8 p30 -71.11 -41.5 70.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.55 -0.295 . . . . 72.43 111.287 178.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.8 m -97.94 -8.78 27.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.812 0.339 . . . . 65.24 111.21 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.452 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 7.2 mmm180 -111.45 124.63 32.15 Favored Pre-proline 0 C--N 1.324 -0.538 0 C-N-CA 120.719 -0.392 . . . . 61.24 110.146 -175.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HD2' ' HA ' ' A' ' 77' ' ' ARG . 10.5 Cg_endo -54.53 122.06 10.89 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 122.51 2.14 . . . . 74.13 111.003 174.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.27 -22.94 54.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 75.53 111.762 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.542 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -67.99 -37.92 88.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 73.41 112.365 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -77.18 -21.45 53.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.294 0.569 . . . . 75.05 109.68 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.553 ' HZ ' HG23 ' A' ' 71' ' ' VAL . 49.9 t80 -84.7 1.11 47.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.405 -0.816 . . . . 72.15 110.146 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.6 t 70.45 90.52 0.08 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 115.363 -0.835 . . . . 53.45 110.823 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -86.98 157.38 8.6 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.876 2.384 . . . . 61.31 112.658 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -126.23 146.08 50.13 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.047 -0.524 . . . . 74.11 109.861 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -77.54 0.04 24.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.998 0.428 . . . . 61.15 110.766 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.1 4.24 60.63 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.03 -0.605 . . . . 45.22 111.921 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -71.22 124.44 24.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.185 0.517 . . . . 74.22 110.958 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.564 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 80.3 mtt85 -107.14 127.28 53.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.382 -0.826 . . . . 74.43 109.639 175.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.0 mt -103.52 94.84 5.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.162 -0.472 . . . . 71.34 110.303 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.872 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 8.5 t-80 -89.34 103.96 16.55 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.322 -0.621 . . . . 54.41 109.322 177.129 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.8 mt -65.43 126.5 24.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.795 -0.638 . . . . 74.41 110.552 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.493 HD12 ' HG2' ' A' ' 60' ' ' GLU . 31.3 mm -81.35 98.77 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.369 0.604 . . . . 73.52 110.656 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.6 m-20 -98.96 94.31 6.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.265 -0.88 . . . . 74.32 109.166 174.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 93.8 mt -82.73 -71.3 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.169 -0.468 . . . . 72.0 110.647 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.413 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 5.0 p-10 -153.42 146.14 17.51 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.924 -0.58 . . . . 72.41 110.424 -178.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 5.6 Cg_exo . . . . . 0 C--O 1.244 0.818 0 C-N-CA 123.155 2.57 . . . . 73.52 111.89 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 110.195 -0.298 . . . . 74.52 110.195 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.39 73.07 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.674 -0.774 . . . . 75.21 112.405 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -85.86 126.6 34.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.733 0.302 . . . . 74.43 110.964 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -117.42 89.0 3.02 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.921 0.867 . . . . 74.43 109.275 171.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -99.66 -10.63 21.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.122 -0.945 . . . . 72.25 110.489 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -68.08 97.73 0.72 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.183 0.516 . . . . 74.22 110.467 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -109.43 136.9 48.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.605 -0.725 . . . . 75.41 109.449 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -105.43 -91.85 0.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.95 0.352 . . . . 72.24 111.95 -178.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.3 m 59.88 -173.34 0.11 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 123.528 0.517 . . . . 71.42 110.052 -170.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -129.11 150.55 50.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.313 0.577 . . . . 74.52 111.547 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.52 79.96 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.258 -1.137 . . . . 45.01 110.258 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -81.55 57.69 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.202 0.525 . . . . 74.44 111.942 -169.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.08 64.1 1.22 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.536 0.684 . . . . 53.44 110.371 174.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.9 p -161.02 145.65 13.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.529 -0.759 . . . . 73.02 109.776 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 m -105.94 126.22 61.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.888 0.375 . . . . 63.02 110.914 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.579 ' HB2' ' HB2' ' A' ' 86' ' ' ASP . 74.1 m80 -88.52 80.76 7.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.046 0.45 . . . . 72.32 109.891 175.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.6 mt -71.52 121.51 18.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.772 -0.649 . . . . 64.34 110.425 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -85.11 89.32 7.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.861 0.362 . . . . 75.44 110.362 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.411 ' HB ' ' HB2' ' A' ' 29' ' ' ALA . 67.5 mt -71.23 121.81 21.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 71.54 109.866 177.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.9 m -136.43 149.05 48.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.352 -0.385 . . . . 74.42 109.974 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -99.34 177.58 5.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.743 0.306 . . . . 74.54 110.358 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.413 ' HB3' ' HB2' ' A' ' 94' ' ' ASP . . . -89.72 -37.74 14.35 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.414 -0.587 . . . . 61.45 109.414 173.858 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -72.77 -31.5 64.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.157 -0.928 . . . . 73.04 110.427 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.8 mt -113.64 111.25 21.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 71.22 110.203 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -78.98 -36.08 41.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 72.15 110.628 -175.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 t -109.65 89.88 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.987 0.422 . . . . 75.14 109.958 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -112.99 112.05 23.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.2 -0.454 . . . . 74.22 109.977 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.5 m -75.32 97.37 3.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.534 . . . . 71.53 110.703 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.411 ' HB2' ' HB ' ' A' ' 19' ' ' ILE . . . -149.37 30.23 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.126 -0.488 . . . . 54.34 111.252 -178.388 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -78.2 76.42 4.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.872 0.844 . . . . 74.31 110.724 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.571 ' O ' ' HA ' ' A' ' 16' ' ' HIS . . . -96.71 159.7 14.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.333 -0.849 . . . . 75.45 110.658 -178.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -92.12 112.44 24.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.186 0.517 . . . . 55.33 110.203 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -108.38 160.33 15.95 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.768 -0.651 . . . . 73.21 110.77 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.417 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 41.3 m -71.53 139.71 84.02 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 115.581 -0.736 . . . . 72.42 110.4 177.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 36.1 Cg_exo -61.48 -28.15 83.18 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 122.793 2.329 . . . . 61.55 112.711 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -90.48 15.61 10.43 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.284 0.476 . . . . 63.32 112.284 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 52.8 ttp -85.78 90.61 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.918 -0.771 . . . . 74.13 108.918 173.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.0 p -85.01 170.25 13.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.0 -0.545 . . . . 65.35 111.466 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.735 ' HA ' HG12 ' A' ' 42' ' ' VAL . 55.4 t -68.6 -33.53 60.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 64.02 109.396 175.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.736 ' HB2' ' HA ' ' A' ' 76' ' ' SER . 38.9 tt0 -54.77 -40.97 69.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.677 -0.692 . . . . 60.42 110.442 175.028 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.65 -44.22 43.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.887 -0.597 . . . . 74.42 111.122 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.735 HG12 ' HA ' ' A' ' 39' ' ' VAL . 4.7 p -69.97 -25.98 29.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.394 -0.367 . . . . 55.34 111.55 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -59.46 -39.12 82.62 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.479 0.18 . . . . 75.14 110.813 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -67.12 -41.18 86.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.497 0.665 . . . . 62.31 110.116 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -71.75 -45.47 61.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.356 -0.838 . . . . 74.54 111.248 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.491 ' HG ' HG21 ' A' ' 42' ' ' VAL . 95.0 mt -73.28 -23.7 60.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.358 -0.383 . . . . 71.12 111.371 -178.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -58.48 -52.46 65.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.408 -0.36 . . . . 74.21 110.825 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -69.63 -25.95 64.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.342 -0.39 . . . . 75.33 111.409 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.859 ' HA ' ' HZ1' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -67.61 -37.88 83.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 74.41 110.564 178.24 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.2 m -90.24 -36.86 14.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.056 -0.52 . . . . 71.21 111.228 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.94 14.81 81.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 52.24 111.541 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.1 m -153.13 166.28 32.98 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.636 -0.876 . . . . 71.35 108.636 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -60.45 135.84 57.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.894 0.378 . . . . 63.2 110.319 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.8 m -86.24 24.93 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.23 -0.441 . . . . 73.52 111.403 -174.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -64.62 -41.52 96.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.849 -0.614 . . . . 75.22 111.537 -176.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.2 m -73.57 -20.01 60.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.977 0.418 . . . . 54.44 111.851 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.0 ttp -90.71 91.23 8.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.029 0.442 . . . . 55.24 110.613 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.56 145.08 27.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.989 -0.55 . . . . 64.21 111.22 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.5 mt -103.52 108.71 20.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 74.22 110.778 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.692 ' HG3' HD12 ' A' ' 93' ' ' ILE . 3.2 mm-40 -80.37 108.98 14.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.278 175.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.532 ' HG ' HG22 ' A' ' 69' ' ' VAL . 36.4 tp -91.96 100.4 13.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.099 -0.501 . . . . 65.3 110.291 -178.545 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -98.98 152.37 19.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.966 -0.561 . . . . 74.42 111.082 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -126.03 -173.04 2.75 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.58 -0.896 . . . . 75.31 108.58 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -113.74 -1.3 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.14 0.422 . . . . 73.43 112.14 -176.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 t -103.29 -44.98 5.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.09 0.471 . . . . 70.44 110.136 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -102.42 -105.31 2.9 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.761 -0.654 . . . . 62.34 111.494 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.0 m -158.79 -60.43 0.07 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.942 0.401 . . . . 75.32 109.943 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -126.49 120.06 28.75 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.082 -0.508 . . . . 54.44 110.154 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.532 HG22 ' HG ' ' A' ' 61' ' ' LEU . 11.9 m -112.09 23.13 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.086 0.469 . . . . 75.05 110.77 178.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.56 94.17 2.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.907 -0.588 . . . . 72.42 111.017 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.11 -51.75 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.928 -0.578 . . . . 60.25 110.279 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 25.5 tp 65.52 27.3 11.65 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.65 -0.704 . . . . 63.1 111.066 174.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.4 t -121.2 -3.71 9.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.229 1.014 . . . . 73.41 108.564 174.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -101.43 5.4 42.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.047 -1.433 . . . . 72.25 110.442 -177.602 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -60.51 -43.92 96.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.644 -0.707 . . . . 72.43 112.183 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.736 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 54.7 m -93.63 6.93 46.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.155 0.502 . . . . 65.24 111.012 -175.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -107.35 150.85 40.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.078 -0.712 . . . . 61.24 109.078 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -55.71 124.21 15.73 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.879 1.72 . . . . 74.13 110.605 172.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.879 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 27.8 tp -58.16 -38.13 76.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.991 0.424 . . . . 75.53 111.498 -173.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.16 -12.65 69.1 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.423 -0.418 . . . . 73.41 112.644 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 61.3 t80 -84.24 -27.3 28.04 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.238 -0.653 . . . . 75.05 109.238 177.698 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -82.96 -32.31 27.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.238 -0.892 . . . . 72.15 109.354 173.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.8 t 72.43 87.27 0.1 Allowed Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 115.055 -0.975 . . . . 53.45 110.992 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.879 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 60.8 Cg_endo -96.0 -166.84 0.12 Allowed 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.392 2.728 . . . . 61.31 112.008 176.012 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -137.09 157.31 46.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.401 -0.363 . . . . 74.11 110.146 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.579 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . 7.8 p-10 -80.84 4.0 20.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.187 -0.46 . . . . 61.15 110.998 -178.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.31 -6.02 69.17 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.583 -0.818 . . . . 45.22 112.316 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.485 ' HB3' HD11 ' A' ' 61' ' ' LEU . 47.7 m-85 -87.4 153.81 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.025 0.441 . . . . 74.22 110.752 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 89' ' ' ARG . 57.4 mtt85 -122.66 132.56 54.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.963 -0.562 . . . . 74.43 110.918 -176.039 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.1 mt -95.02 96.25 9.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.989 -0.551 . . . . 71.34 109.659 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -90.73 97.06 10.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.047 -0.524 . . . . 54.41 110.474 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.65 124.07 19.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.854 -0.612 . . . . 74.41 110.193 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.692 HD12 ' HG3' ' A' ' 60' ' ' GLU . 46.4 mm -80.09 116.93 25.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.029 0.442 . . . . 73.52 110.972 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 13.0 m-20 -88.94 110.88 21.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.815 -0.629 . . . . 74.32 109.781 176.37 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.616 ' HG ' HG22 ' A' ' 93' ' ' ILE . 96.9 mt -120.08 -80.11 0.61 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.919 0.39 . . . . 72.0 110.546 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.46 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 9.1 p-10 -155.41 120.2 2.52 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.104 -0.498 . . . . 72.41 110.548 -178.011 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 11.2 Cg_endo . . . . . 0 C--O 1.248 1.013 0 C-N-CA 123.436 2.757 . . . . 73.52 111.632 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.942 0.401 . . . . 74.52 110.216 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.84 155.37 22.88 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.922 -0.871 . . . . 75.21 110.922 -174.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -140.57 105.28 4.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.455 0.628 . . . . 74.43 110.931 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -88.19 67.2 8.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.22 1.01 . . . . 74.43 109.441 171.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -95.31 1.69 54.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.847 -1.07 . . . . 72.25 110.43 -175.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -90.07 129.94 36.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.681 -177.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -142.74 142.42 31.95 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.826 -0.805 . . . . 75.41 108.826 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -81.16 -78.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.878 0.325 . . . . 72.24 111.878 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.8 m 72.73 163.73 0.28 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.866 0.728 . . . . 71.42 110.589 -172.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -126.87 171.55 11.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.13 -0.486 . . . . 74.52 109.751 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 128.63 132.71 3.57 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.581 -0.819 . . . . 45.01 112.196 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -92.1 77.06 5.35 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.572 -0.529 . . . . 74.44 109.572 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -156.27 29.4 0.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.803 -0.635 . . . . 53.44 110.812 -175.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.557 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 14.7 p -137.6 119.52 15.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.064 -0.516 . . . . 73.02 111.677 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -83.67 123.09 38.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.562 -0.903 . . . . 63.02 108.562 169.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -89.46 94.94 10.07 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.082 0.468 . . . . 72.32 110.511 -172.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.464 HD13 HD11 ' A' ' 90' ' ' LEU . 88.9 mt -101.97 123.57 46.1 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.675 -0.693 . . . . 64.34 110.359 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -98.38 107.41 19.86 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.136 -0.69 . . . . 75.44 109.136 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.434 ' HB ' ' HB2' ' A' ' 29' ' ' ALA . 61.8 mt -81.15 133.91 28.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.543 -0.299 . . . . 71.54 110.66 -175.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.5 m -142.88 142.42 31.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.316 -0.402 . . . . 74.42 110.446 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.95 168.48 10.94 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.507 -0.553 . . . . 74.54 109.507 -178.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.97 -57.04 4.23 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.879 -0.329 . . . . 61.45 111.232 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -71.74 -45.01 63.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.228 0.537 . . . . 73.04 110.313 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.3 mt -80.28 81.77 6.46 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.242 -0.651 . . . . 71.22 109.242 172.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -74.84 -29.6 61.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.731 -0.668 . . . . 72.15 110.442 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 t -97.95 60.76 1.5 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.915 -0.772 . . . . 75.14 108.915 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -106.07 94.42 5.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.543 -0.753 . . . . 74.22 109.668 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -82.73 82.05 8.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.006 -0.543 . . . . 71.53 110.802 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.434 ' HB2' ' HB ' ' A' ' 19' ' ' ILE . . . -113.17 97.65 6.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.093 -0.503 . . . . 54.34 109.818 175.199 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -101.63 125.05 48.22 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.359 -0.382 . . . . 74.31 110.526 -175.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.71 168.49 19.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.147 0.499 . . . . 75.45 111.558 -176.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.557 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 30.2 ptt180 -133.52 130.72 38.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.631 -0.713 . . . . 55.33 109.828 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.67 -170.6 2.29 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.479 -0.328 . . . . 73.21 110.386 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.416 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 9.5 p -103.19 148.5 35.75 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.335 -0.393 . . . . 72.42 110.571 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 13.4 Cg_exo -70.76 2.39 4.14 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.026 2.484 . . . . 61.55 112.641 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -85.45 -13.53 48.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.943 -0.571 . . . . 63.32 110.362 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 57.5 ttp -90.9 115.56 28.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 74.13 110.504 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.8 p -96.16 175.13 6.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.096 -0.502 . . . . 65.35 110.389 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.491 HG13 ' HE3' ' A' ' 43' ' ' LYS . 48.0 t -66.07 -39.09 83.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.972 0.415 . . . . 64.02 110.107 178.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.18 -33.04 73.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.255 0.55 . . . . 60.42 110.497 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.33 -46.96 75.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.817 -0.629 . . . . 74.42 111.173 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 p -71.79 -30.86 39.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 120.759 -0.376 . . . . 55.34 110.341 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.491 ' HE3' HG13 ' A' ' 39' ' ' VAL . 96.3 mttt -57.35 -46.39 83.36 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.934 0.397 . . . . 75.14 110.589 176.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -59.38 -41.33 89.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.577 -0.738 . . . . 62.31 111.04 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -73.93 -35.66 64.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.37 -0.377 . . . . 74.54 110.909 -175.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.517 HD11 ' HE2' ' A' ' 57' ' ' MET . 91.8 mt -67.56 -35.34 78.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.356 0.598 . . . . 71.12 109.891 176.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.531 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 34.2 t90 -68.14 -17.34 64.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.122 -0.944 . . . . 74.21 110.679 176.469 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -97.91 -37.36 9.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.478 -0.328 . . . . 75.33 111.053 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -63.34 -52.9 59.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.073 -0.512 . . . . 74.41 111.325 -177.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.5 m -124.83 -3.35 7.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.611 -0.268 . . . . 71.21 111.499 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.531 ' HA2' ' O ' ' A' ' 47' ' ' TRP . . . 70.97 29.03 69.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.543 -0.837 . . . . 52.24 111.283 -175.164 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 m -74.6 112.26 10.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.737 0.303 . . . . 71.35 110.982 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.0 m -64.23 119.75 10.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.558 -0.534 . . . . 63.2 109.558 174.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.25 -6.16 6.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.197 -0.456 . . . . 73.52 112.075 -174.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -68.05 -35.54 78.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.261 0.553 . . . . 75.22 110.079 174.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.6 p -101.65 21.69 14.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.661 -0.7 . . . . 54.44 111.204 -177.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.517 ' HE2' HD11 ' A' ' 46' ' ' LEU . 48.2 ttp -145.88 100.29 3.38 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.105 0.479 . . . . 55.24 110.174 178.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.47 145.07 26.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.951 -0.568 . . . . 64.21 110.766 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.9 mt -109.01 103.47 12.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.155 0.502 . . . . 74.22 110.091 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.1 97.69 10.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.759 -0.655 . . . . 74.12 110.564 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.604 ' HG ' HG22 ' A' ' 69' ' ' VAL . 34.0 tp -84.79 97.36 9.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.781 -0.645 . . . . 65.3 109.528 178.272 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -94.5 159.03 15.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.746 -0.661 . . . . 74.42 110.529 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -118.11 -168.89 1.59 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.159 -1.052 . . . . 75.31 108.159 168.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -103.76 -21.59 13.66 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.629 -0.429 . . . . 73.43 111.95 -175.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.5 t -100.95 -41.79 6.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.838 0.352 . . . . 70.44 111.22 -171.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.76 -105.76 2.8 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.64 -0.79 . . . . 62.34 112.237 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -157.63 -68.79 0.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.991 0.424 . . . . 75.32 110.517 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -117.19 124.18 48.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 54.44 111.047 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.604 HG22 ' HG ' ' A' ' 61' ' ' LEU . 12.1 m -111.91 6.91 8.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.351 0.596 . . . . 75.05 110.11 173.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.556 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -81.51 97.46 7.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.512 -0.767 . . . . 72.42 110.448 176.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.507 ' HB ' ' OD2' ' A' ' 74' ' ' ASP . 47.4 t -82.19 -41.58 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.571 -0.286 . . . . 60.25 110.646 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.8 mp 65.57 30.4 10.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.574 0.702 . . . . 63.1 111.281 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 t -116.4 11.2 14.88 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.462 -1.681 . . . . 73.41 106.462 166.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.507 ' OD2' ' HB ' ' A' ' 71' ' ' VAL . 1.2 p30 -135.35 -0.43 2.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 113.184 -1.825 . . . . 72.25 110.203 -173.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -61.06 -36.25 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 72.43 111.824 -173.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.39 14.92 20.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.152 0.501 . . . . 65.24 110.729 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.529 ' HB3' ' HD2' ' A' ' 78' ' ' PRO . 45.0 mmm-85 -106.09 165.13 13.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.229 -0.656 . . . . 61.24 109.229 178.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.529 ' HD2' ' HB3' ' A' ' 77' ' ' ARG . 20.6 Cg_endo -62.29 110.79 1.11 Allowed 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 121.993 1.795 . . . . 74.13 111.759 174.815 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.535 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 50.5 tp -61.97 -27.93 69.2 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.113 -0.494 . . . . 75.53 111.164 -177.17 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.78 -22.47 64.33 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.261 -0.495 . . . . 73.41 112.741 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -78.98 -22.36 45.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.105 0.478 . . . . 75.05 109.992 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -80.04 -25.69 40.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 72.15 110.882 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.5 t 65.38 85.46 0.16 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 115.683 -0.69 . . . . 53.45 109.827 -174.306 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.535 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 6.1 Cg_exo -74.52 156.03 45.2 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 123.259 2.639 . . . . 61.31 113.258 -175.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -100.63 -176.03 3.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.303 -0.862 . . . . 74.11 110.048 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -107.2 8.25 29.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.684 0.278 . . . . 61.15 111.303 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -113.1 25.58 11.29 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.535 -0.841 . . . . 45.22 112.948 -178.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.545 ' HB3' HD13 ' A' ' 61' ' ' LEU . 14.0 m-30 -80.83 125.35 29.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.982 0.42 . . . . 74.22 111.33 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -108.11 116.32 31.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.02 -0.536 . . . . 74.43 110.759 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.464 HD11 HD13 ' A' ' 17' ' ' LEU . 95.9 mt -88.15 86.66 7.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.21 -0.45 . . . . 71.34 109.978 177.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -91.8 97.88 11.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.862 0.363 . . . . 54.41 110.075 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.24 126.61 27.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.754 -0.657 . . . . 74.41 110.496 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.3 mm -88.06 91.17 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.287 -0.635 . . . . 73.52 109.287 175.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -71.68 103.59 3.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.146 -0.934 . . . . 74.32 111.396 -178.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 90.9 mt -105.17 -161.98 0.85 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.893 -0.78 . . . . 72.0 108.893 173.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.464 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 8.8 p-10 -81.63 118.39 71.99 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.98 0.419 . . . . 72.41 110.695 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 12.2 Cg_endo . . . . . 0 N--CA 1.45 -1.05 0 C-N-CA 123.196 2.597 . . . . 73.52 111.562 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptm . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 110.522 -0.177 . . . . 73.35 110.522 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 3' ' ' HIS . . . 75.61 -66.46 2.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.365 -0.445 . . . . 62.53 113.777 174.023 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 2' ' ' GLY . 90.2 m-70 67.95 89.19 0.1 Allowed 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.039 0.535 . . . . 74.15 109.832 -171.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -58.26 103.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.593 -0.731 . . . . 72.41 110.875 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -100.66 95.23 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.85 -0.614 . . . . 73.12 109.87 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -143.97 93.73 2.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.106 -0.497 . . . . 71.04 109.679 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -137.48 137.77 39.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.886 -0.597 . . . . 71.5 109.951 -176.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -92.34 143.59 26.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.198 -0.456 . . . . 73.14 110.348 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.2 t -158.13 100.35 1.7 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.975 0.417 . . . . 75.42 111.139 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -92.74 -0.2 57.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.069 -0.715 . . . . 64.4 109.069 172.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.46 -35.4 29.43 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.779 -0.724 . . . . 74.12 111.379 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.8 t0 61.44 41.32 12.9 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.736 0.779 . . . . 71.12 110.109 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.05 -28.57 70.18 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.193 -0.912 . . . . 72.31 110.51 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.7 m -59.68 125.05 22.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.545 -0.752 . . . . 62.5 111.22 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.0 m -70.59 137.65 23.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.849 -0.614 . . . . 71.31 109.589 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -93.54 83.55 4.53 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.136 0.493 . . . . 74.14 110.155 -174.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.5 mt -96.6 106.07 18.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.825 -0.625 . . . . 75.21 110.008 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -79.78 126.12 30.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.178 -0.465 . . . . 71.21 110.941 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.507 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 76.7 mt -85.04 120.7 35.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.535 -0.757 . . . . 74.12 110.512 -178.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.502 ' HB ' ' HA ' ' A' ' 91' ' ' HIS . 5.1 m -96.72 92.71 6.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.838 -0.619 . . . . 72.52 109.375 177.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.56 ' HD1' ' HB2' ' A' ' 24' ' ' LEU . 7.8 t-160 -81.41 129.16 34.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.699 -0.682 . . . . 73.43 110.227 -176.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.02 -56.64 4.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.046 0.387 . . . . 72.33 112.046 -174.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -61.55 -61.74 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 74.23 111.554 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.56 ' HB2' ' HD1' ' A' ' 21' ' ' HIS . 7.9 mp -96.97 88.02 4.41 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.466 -0.568 . . . . 72.41 109.466 175.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -85.55 -6.23 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.949 -0.568 . . . . 72.13 111.746 -175.175 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 t -97.93 1.65 48.24 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.344 -0.613 . . . . 73.21 109.344 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -95.32 98.67 10.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.525 -0.761 . . . . 75.43 109.585 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.5 m -86.31 102.76 14.27 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.039 -0.528 . . . . 73.25 110.804 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -123.19 141.66 51.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.862 -0.608 . . . . 72.11 109.688 175.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -126.09 145.63 50.26 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.004 -0.369 . . . . 65.32 110.004 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.44 94.72 9.25 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.949 -0.569 . . . . 73.44 109.636 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -101.53 91.16 4.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.841 0.829 . . . . 73.14 110.456 -178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -130.89 150.62 51.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.518 -0.765 . . . . 71.21 109.911 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.442 ' C ' ' H ' ' A' ' 36' ' ' GLN . 31.7 m -65.1 135.41 96.27 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.091 -0.504 . . . . 74.05 109.898 177.132 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.561 ' HB2' ' N ' ' A' ' 80' ' ' GLY . 63.4 Cg_endo -71.53 20.89 0.25 Allowed 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.144 2.563 . . . . 65.31 113.398 -174.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.442 ' H ' ' C ' ' A' ' 34' ' ' SER . 66.2 mt-30 -88.26 -11.61 46.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.383 0.611 . . . . 73.5 109.633 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.422 ' HE3' ' HB ' ' A' ' 42' ' ' VAL . 26.2 ttt -95.98 146.95 24.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.251 -0.886 . . . . 73.52 110.192 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.3 p -98.06 149.3 22.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.18 -0.463 . . . . 71.35 110.527 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.466 ' O ' HG12 ' A' ' 42' ' ' VAL . 11.1 p -64.36 -22.12 30.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.358 0.599 . . . . 73.4 110.227 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -57.46 -35.92 70.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.597 -0.729 . . . . 54.1 111.226 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.71 -17.29 48.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.397 0.517 . . . . 75.23 112.397 -173.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 39' ' ' VAL . 9.3 p -92.76 -29.2 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.739 -0.384 . . . . 75.34 111.455 -176.169 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -61.99 -52.42 64.07 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.795 0.331 . . . . 65.55 111.127 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.04 -36.94 75.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.146 0.498 . . . . 70.34 110.862 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HB2' ' HE3' ' A' ' 45' ' ' LYS . 29.5 ttmt -66.87 -33.41 75.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.841 -0.618 . . . . 74.11 111.106 -176.7 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.4 mt -75.15 -42.18 56.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 64.42 110.326 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -58.35 -42.39 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.896 -0.593 . . . . 72.4 111.086 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.654 ' HB2' ' HZ1' ' A' ' 48' ' ' LYS . 0.1 OUTLIER -81.37 -8.62 59.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.458 -0.337 . . . . 75.33 111.546 -176.781 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -98.99 -54.97 2.84 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.028 -0.269 . . . . 75.55 111.309 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 60.8 m -83.77 -36.49 23.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.433 -0.349 . . . . 73.23 111.371 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.15 -5.62 59.34 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.565 -0.826 . . . . 40.43 112.664 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.4 t -87.72 162.67 16.93 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.786 -0.45 . . . . 65.02 109.786 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 m -91.81 122.66 34.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.734 0.302 . . . . 75.42 111.239 -174.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.11 -15.85 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.324 -0.398 . . . . 73.03 111.278 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -71.15 -16.83 62.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.244 0.545 . . . . 74.41 110.188 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.7 m -107.0 4.27 26.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 61.12 110.249 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.836 ' HE1' HD22 ' A' ' 59' ' ' LEU . 25.7 ttt -85.54 100.9 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.88 -0.6 . . . . 71.12 110.484 -177.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.71 110.53 15.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 74.25 111.001 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.836 HD22 ' HE1' ' A' ' 57' ' ' MET . 94.6 mt -109.87 110.43 21.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 65.22 110.189 177.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.784 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 44.2 mt-10 -93.01 104.56 16.76 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.808 0.337 . . . . 74.23 110.324 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.449 ' HB3' ' HB3' ' A' ' 70' ' ' ALA . 51.4 tp -85.31 94.09 8.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.974 -0.557 . . . . 74.41 109.754 178.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.569 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 16.9 m-85 -89.13 149.49 23.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.025 -0.534 . . . . 71.23 111.214 -178.524 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.427 ' HB3' HG12 ' A' ' 69' ' ' VAL . 4.5 p-10 -85.12 0.41 51.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.349 -0.841 . . . . 64.31 109.391 173.267 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.0 t70 89.19 -24.75 0.09 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.959 1.304 . . . . 71.03 112.054 178.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.3 p -78.88 -28.6 44.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.288 -0.565 . . . . 62.34 109.84 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.26 -3.92 2.51 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.826 -0.702 . . . . 75.11 112.434 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.4 m -101.09 142.7 32.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.78 0.324 . . . . 65.21 110.551 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -86.79 126.97 34.97 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.713 -0.477 . . . . 75.33 109.713 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.427 HG12 ' HB3' ' A' ' 63' ' ' ASP . 31.0 m -102.88 19.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.738 0.78 . . . . 73.14 110.036 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.449 ' HB3' ' HB3' ' A' ' 61' ' ' LEU . . . -84.63 105.58 15.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.189 -0.914 . . . . 75.22 111.613 -177.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -111.08 -31.88 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.915 -0.584 . . . . 74.41 109.791 171.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.429 HD11 ' HA ' ' A' ' 72' ' ' LEU . 4.3 mm? 55.37 81.37 0.12 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.174 -0.921 . . . . 71.12 113.129 174.302 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.7 t -127.69 7.13 6.22 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.08 -0.711 . . . . 75.34 109.08 170.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -114.36 26.23 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.368 -0.833 . . . . 61.35 110.571 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -54.46 -51.8 63.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 71.44 111.135 -179.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.2 m -99.27 5.69 46.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.742 -0.663 . . . . 74.53 111.482 -175.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -100.08 150.5 36.94 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.592 -0.276 . . . . 62.41 110.536 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.53 125.55 13.51 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.477 2.118 . . . . 70.12 111.311 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.7 tp -61.49 -24.82 66.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.332 -0.394 . . . . 74.41 111.521 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.561 ' N ' ' HB2' ' A' ' 35' ' ' PRO . . . -65.0 -31.1 79.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.264 -0.493 . . . . 64.4 112.459 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -73.99 -40.33 63.03 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.753 -0.462 . . . . 74.22 109.753 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -65.04 -42.87 93.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.596 -0.729 . . . . 64.34 110.037 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.1 t 63.33 89.72 0.1 Allowed Pre-proline 0 C--O 1.233 0.197 0 CA-C-N 115.401 -0.818 . . . . 74.14 110.55 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -80.93 159.6 21.05 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.569 2.179 . . . . 74.45 112.849 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -57.93 -25.53 61.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.495 -0.775 . . . . 74.31 111.785 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.9 t70 68.35 88.06 0.11 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.31 0.576 . . . . 72.54 110.204 -176.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 142.03 60.77 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.709 -0.678 . . . . 73.23 111.424 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -122.12 153.57 38.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.27 -0.27 . . . . 73.41 110.27 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.569 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 40.4 mmt180 -97.06 108.99 21.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.298 -0.41 . . . . 70.42 110.349 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.507 ' HB2' ' HA ' ' A' ' 19' ' ' ILE . 98.7 mt -83.29 85.65 7.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.711 -0.477 . . . . 72.32 109.711 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.784 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 12.1 t-80 -81.65 99.42 8.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.015 0.436 . . . . 55.51 110.258 -177.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.403 HG12 ' CD2' ' A' ' 59' ' ' LEU . 57.9 mt -86.12 119.87 35.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.753 -0.658 . . . . 61.24 109.883 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 95' ' ' LEU . 46.7 mm -82.0 112.6 20.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.185 -0.461 . . . . 64.54 110.22 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -79.56 72.11 6.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.198 0.523 . . . . 53.32 109.684 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.443 ' HB3' HG23 ' A' ' 93' ' ' ILE . 2.4 pt? -97.29 9.09 43.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.955 -0.566 . . . . 64.03 110.494 -178.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 18.2 t70 -82.24 107.62 9.3 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.684 -0.689 . . . . 72.5 110.192 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 9.5 Cg_endo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 123.322 2.681 . . . . 72.55 112.096 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptm . . . . . 0 N--CA 1.483 1.218 0 N-CA-C 110.098 -0.334 . . . . 73.35 110.098 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 168.58 -149.24 13.6 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.426 -0.893 . . . . 62.53 112.449 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 63.02 89.54 0.09 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.582 0.705 . . . . 74.15 110.361 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -96.29 101.86 13.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.407 -0.815 . . . . 72.41 111.13 -171.485 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -96.49 94.93 7.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.288 0.566 . . . . 73.12 110.0 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -152.75 33.25 0.49 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.409 -0.814 . . . . 71.04 109.255 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -73.9 113.42 11.03 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.207 -0.664 . . . . 71.5 109.207 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -87.39 108.09 18.83 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.106 -0.497 . . . . 73.14 111.416 -169.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -124.79 139.04 54.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.616 -0.72 . . . . 75.42 109.132 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -124.03 98.03 5.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.311 0.577 . . . . 64.4 111.303 -176.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.15 -106.37 0.2 Allowed Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.831 -0.908 . . . . 74.12 110.831 176.006 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -135.54 43.14 2.64 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.99 0.9 . . . . 71.12 108.719 172.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.44 44.44 0.2 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.678 -1.146 . . . . 72.31 111.143 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 m -147.41 95.09 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.302 0.482 . . . . 62.5 112.302 -174.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.5 m -71.69 145.7 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.574 -0.899 . . . . 71.31 108.574 167.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -95.82 88.09 4.84 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.186 -0.606 . . . . 74.14 110.872 -174.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.596 ' HB3' HD13 ' A' ' 90' ' ' LEU . 98.0 mt -111.92 137.66 49.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 75.21 110.236 176.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -112.64 111.22 21.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.478 -0.328 . . . . 71.21 110.208 -177.599 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.512 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 68.3 mt -74.05 118.31 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.91 0.386 . . . . 74.12 110.443 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.581 ' HB ' ' HA ' ' A' ' 91' ' ' HIS . 5.4 m -116.57 108.94 16.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.025 -0.534 . . . . 72.52 110.653 -176.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.747 ' HD1' ' HB2' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -87.83 151.98 22.45 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.341 -0.614 . . . . 73.43 109.341 179.219 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.99 -54.74 4.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.81 0.338 . . . . 72.33 111.621 -174.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -79.22 -32.09 43.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.162 0.506 . . . . 74.23 110.544 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.747 ' HB2' ' HD1' ' A' ' 21' ' ' HIS . 8.1 mp -99.81 83.35 2.73 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.036 -0.727 . . . . 72.41 109.036 173.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -75.87 -13.9 60.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.826 -0.625 . . . . 72.13 111.962 -172.676 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -109.67 27.14 9.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.324 0.583 . . . . 73.21 110.223 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.469 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 70.5 t80 -81.1 89.68 5.98 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.866 -0.606 . . . . 75.43 109.398 176.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -78.65 102.2 7.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.081 -0.509 . . . . 73.25 110.555 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.41 123.77 20.68 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.072 -0.513 . . . . 72.11 110.521 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -101.05 143.56 31.03 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.003 -0.544 . . . . 65.32 109.673 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.5 ' HB1' ' HB2' ' A' ' 17' ' ' LEU . . . -117.9 99.87 7.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.291 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -122.27 103.14 8.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.84 -0.618 . . . . 73.14 110.757 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -126.34 173.12 9.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.384 -0.825 . . . . 71.21 109.475 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.2 p -67.48 143.97 97.5 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.596 -0.274 . . . . 74.05 110.413 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.559 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 34.8 Cg_endo -65.34 -2.77 6.44 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.984 2.456 . . . . 65.31 112.905 -177.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.412 ' HA ' ' HB3' ' A' ' 78' ' ' PRO . 74.9 mt-30 -85.47 -7.53 58.86 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.079 0.466 . . . . 73.5 110.421 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.1 ttt -82.79 151.07 26.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.849 -0.614 . . . . 73.52 110.32 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.434 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 23.9 p -120.71 164.6 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.218 -0.446 . . . . 71.35 109.992 176.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -65.49 -21.22 28.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 121.508 0.671 . . . . 73.4 110.036 178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -54.27 -36.65 63.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.234 -0.894 . . . . 54.1 111.043 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.23 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.546 . . . . 75.23 111.745 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.2 p -82.96 -28.73 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.569 -0.452 . . . . 75.34 110.213 -178.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -62.64 -54.06 45.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 65.55 110.226 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.64 -35.01 75.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.677 -0.692 . . . . 70.34 110.69 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -62.78 -53.69 50.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.94 -0.573 . . . . 74.11 110.835 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.85 -28.34 64.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 64.42 110.936 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -55.13 -53.78 51.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 72.4 111.097 176.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.785 ' HZ2' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -90.42 9.79 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 75.33 111.129 -178.859 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -100.7 -53.04 3.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.068 0.461 . . . . 75.55 110.043 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 79.6 m -100.39 -21.86 15.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.051 -0.522 . . . . 73.23 111.408 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.06 40.49 93.11 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.524 -0.846 . . . . 40.43 111.905 -178.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -105.87 172.31 6.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.914 0.388 . . . . 65.02 110.435 -176.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.9 m -85.04 135.16 34.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.093 -0.503 . . . . 75.42 110.366 -177.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 m -71.55 -28.01 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 73.03 111.972 -176.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.89 -26.87 63.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.24 0.543 . . . . 74.41 110.116 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.8 m -79.47 -9.64 59.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.661 -0.7 . . . . 61.12 110.677 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.496 ' HE3' HD22 ' A' ' 59' ' ' LEU . 27.9 ttt -95.0 85.19 4.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.055 0.455 . . . . 71.12 110.303 -178.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.1 109.41 20.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.843 -0.617 . . . . 74.25 110.213 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.496 HD22 ' HE3' ' A' ' 57' ' ' MET . 94.1 mt -89.85 105.06 17.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.064 -0.516 . . . . 65.22 110.143 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.651 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 50.1 mm-40 -78.56 86.49 4.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.924 -0.58 . . . . 74.23 110.324 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.487 ' HG ' HG21 ' A' ' 69' ' ' VAL . 31.0 tp -89.43 104.13 16.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.541 -0.754 . . . . 74.41 110.087 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.491 ' CZ ' ' HB3' ' A' ' 60' ' ' GLU . 50.9 m-85 -102.18 151.44 22.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.99 -0.55 . . . . 71.23 110.561 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -84.24 -2.14 56.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.058 -0.519 . . . . 64.31 109.682 173.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.0 t70 81.28 -2.06 1.71 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.64 -1.164 . . . . 71.03 111.63 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 m -96.73 -38.42 9.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.687 -0.486 . . . . 62.34 109.687 173.567 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.32 -11.1 0.88 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 75.11 112.568 178.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.8 m -92.13 131.82 37.09 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.054 0.454 . . . . 65.21 110.601 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -71.27 127.97 34.34 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.212 0.53 . . . . 75.33 109.653 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.487 HG21 ' HG ' ' A' ' 61' ' ' LEU . 29.6 m -113.96 17.87 7.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-O 121.588 0.709 . . . . 73.14 109.701 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.455 ' HB1' ' HB3' ' A' ' 61' ' ' LEU . . . -84.01 60.51 5.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.072 -0.967 . . . . 75.22 111.536 -177.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.05 87.46 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.083 0.944 . . . . 74.41 109.36 173.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 1.008 ' HB3' ' HB3' ' A' ' 75' ' ' ASP . 3.0 mm? -90.68 82.81 5.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.473 -0.785 . . . . 71.12 111.274 -172.364 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.4 t -84.79 -30.51 24.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.725 -0.67 . . . . 75.34 109.412 173.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -103.58 27.42 7.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.401 -0.818 . . . . 61.35 109.753 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 1.008 ' HB3' ' HB3' ' A' ' 72' ' ' LEU . 20.0 p-10 -61.61 -27.29 68.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.674 -0.693 . . . . 71.44 111.472 -177.518 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 p -98.29 14.77 26.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.929 -0.578 . . . . 74.53 111.178 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -129.35 161.08 60.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.982 -0.377 . . . . 62.41 109.982 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.412 ' HB3' ' HA ' ' A' ' 36' ' ' GLN . 51.0 Cg_exo -55.8 125.91 20.66 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.508 2.139 . . . . 70.12 112.434 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.9 tp -60.59 -34.59 74.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.176 0.512 . . . . 74.41 111.183 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.559 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -70.92 -14.9 73.63 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.78 -0.646 . . . . 64.4 113.01 -177.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -70.11 -45.02 67.77 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.583 -0.525 . . . . 74.22 109.583 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -75.6 -40.35 56.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.828 -0.624 . . . . 64.34 110.271 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.5 m 62.01 88.82 0.11 Allowed Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 115.758 -0.656 . . . . 74.14 110.697 -178.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.645 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . 2.8 Cg_endo -80.96 -169.02 0.71 Allowed 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.003 2.469 . . . . 74.45 112.328 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.43 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 86.0 t80 -64.8 -31.92 73.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.259 -0.428 . . . . 74.31 110.835 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.405 ' HB3' ' O ' ' A' ' 85' ' ' PHE . 14.4 t70 72.48 132.61 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.861 0.726 . . . . 72.54 111.472 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.92 44.15 3.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 73.23 112.019 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.645 ' HE2' ' HB2' ' A' ' 84' ' ' PRO . 73.3 m-85 -92.4 166.28 12.64 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.281 0.562 . . . . 73.41 111.807 -175.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -94.47 115.82 28.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.256 -0.884 . . . . 70.42 110.059 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.596 HD13 ' HB3' ' A' ' 17' ' ' LEU . 92.4 mt -89.53 74.72 7.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.506 -0.553 . . . . 72.32 109.506 174.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.651 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 12.2 t-160 -81.66 102.76 10.9 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.116 0.484 . . . . 55.51 110.739 -175.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.2 mt -88.09 125.6 41.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.577 -0.738 . . . . 61.24 109.888 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.3 mm -78.28 111.22 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.294 -0.412 . . . . 64.54 110.353 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -84.07 93.17 8.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.95 0.405 . . . . 53.32 109.99 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -123.71 6.05 8.82 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.118 -0.492 . . . . 64.03 110.663 -178.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 6.9 p-10 -82.48 116.71 65.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.393 0.616 . . . . 72.5 110.484 -176.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 57.7 Cg_endo . . . . . 0 C--O 1.251 1.172 0 C-N-CA 123.138 2.559 . . . . 72.55 112.066 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.686 0.279 . . . . 74.52 110.331 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.36 73.65 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.856 -0.898 . . . . 75.21 110.856 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.615 ' CE1' ' HB2' ' A' ' 5' ' ' HIS . 57.2 t-80 -112.94 121.67 45.36 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.765 0.316 . . . . 74.43 110.204 -177.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -113.21 106.23 14.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.422 0.629 . . . . 74.43 109.831 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.615 ' HB2' ' CE1' ' A' ' 3' ' ' HIS . 51.3 t-80 -116.1 82.89 1.85 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.644 -0.707 . . . . 72.25 109.434 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -136.07 109.83 8.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.567 -175.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -127.66 110.22 12.46 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.931 -0.766 . . . . 75.41 108.931 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -68.25 -40.25 81.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.394 -0.366 . . . . 72.24 111.024 -175.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m 60.95 -160.98 0.3 Allowed 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.555 0.534 . . . . 71.42 110.768 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -134.2 95.67 3.46 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.426 -0.583 . . . . 74.52 109.426 172.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -85.57 71.77 2.84 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.691 -0.686 . . . . 45.01 112.829 -174.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -94.14 -37.1 11.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.086 0.47 . . . . 74.44 110.315 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -103.79 -40.09 6.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.617 -0.72 . . . . 53.44 110.268 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.8 p -77.7 106.77 9.73 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.826 -0.624 . . . . 73.02 110.047 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.36 153.67 6.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.014 0.435 . . . . 63.02 110.961 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.5 ' HB2' ' HB2' ' A' ' 86' ' ' ASP . 34.5 m80 -108.53 152.84 24.19 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.301 -0.629 . . . . 72.32 109.301 178.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.56 ' HB2' ' HB2' ' A' ' 30' ' ' ASP . 95.6 mt -116.57 -154.12 0.54 Allowed 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 108.885 -0.783 . . . . 64.34 108.885 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.6 95.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.373 -0.603 . . . . 75.44 109.373 171.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.1 mt -80.93 133.21 29.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.844 -0.617 . . . . 71.54 109.976 -177.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.0 m -143.47 147.42 34.52 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.451 -0.574 . . . . 74.42 109.451 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -116.96 177.85 4.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.918 0.389 . . . . 74.54 110.84 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.95 -32.89 15.09 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.822 -0.807 . . . . 61.45 108.822 171.156 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -66.15 -58.31 5.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.867 -1.06 . . . . 73.04 109.634 171.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.413 ' HB3' ' HB2' ' A' ' 27' ' ' PHE . 94.8 mt -86.82 97.13 10.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.536 -0.757 . . . . 71.22 110.202 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -69.67 -58.67 3.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.86 -0.609 . . . . 72.15 110.222 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.7 m -82.09 85.46 6.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.806 -0.634 . . . . 75.14 109.861 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.413 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 26.0 t80 -144.2 106.01 4.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.2 -178.213 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.5 m -127.6 78.38 1.82 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.871 -0.604 . . . . 71.53 110.163 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.91 147.94 44.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.61 -0.723 . . . . 54.34 109.681 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.56 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 4.9 p-10 -166.05 176.55 7.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.078 0.466 . . . . 74.31 110.633 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.81 128.21 46.22 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.54 -0.754 . . . . 75.45 110.382 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -68.65 122.7 19.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.776 -0.647 . . . . 55.33 110.78 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -128.29 -173.58 2.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.855 -0.611 . . . . 73.21 110.686 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.5 p -90.35 149.36 40.97 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.458 -0.792 . . . . 72.42 110.152 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.412 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 56.5 Cg_endo -71.59 4.84 2.74 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.524 2.149 . . . . 61.55 112.018 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.563 ' HA ' ' HB3' ' A' ' 78' ' ' PRO . 48.2 mt-30 -101.84 6.62 41.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 63.32 110.888 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 57.5 ttp -76.53 107.75 9.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.963 -0.562 . . . . 74.13 109.949 176.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.405 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 10.7 p -84.54 143.68 29.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.25 -0.432 . . . . 65.35 110.89 -178.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.438 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 42.4 t -62.72 -28.51 45.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.178 0.514 . . . . 64.02 110.897 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -68.0 -40.54 82.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.241 -0.436 . . . . 60.42 109.941 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.08 -39.46 72.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 74.42 111.693 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.0 p -67.42 -28.62 42.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.679 0.276 . . . . 55.34 111.087 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 98.7 mttt -61.17 -46.0 92.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.81 0.338 . . . . 75.14 110.563 177.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -69.16 -30.35 68.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 62.31 110.878 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -72.89 -31.19 64.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.861 0.363 . . . . 74.54 110.467 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.37 -39.85 58.72 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.556 -0.535 . . . . 71.12 109.556 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -58.96 -36.13 74.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.493 -0.776 . . . . 74.21 110.665 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -86.91 12.88 10.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 75.33 111.95 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -129.26 -49.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.937 0.398 . . . . 74.41 110.839 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.2 m -91.4 -34.01 15.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.112 -0.495 . . . . 71.21 111.053 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.13 4.76 86.71 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.7 -0.762 . . . . 52.24 111.974 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.4 m -96.38 138.36 34.09 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.326 -0.25 . . . . 71.35 110.326 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.7 m -69.87 140.63 53.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.947 -0.39 . . . . 63.2 109.947 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -75.24 9.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 112.542 0.571 . . . . 73.52 112.542 -172.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.1 -30.26 67.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.973 0.416 . . . . 75.22 110.587 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 m -85.94 11.32 11.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.955 -0.566 . . . . 54.44 111.298 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.4 ttp -128.19 108.24 10.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.821 0.343 . . . . 55.24 110.8 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.536 ' HB2' ' HB ' ' A' ' 93' ' ' ILE . . . -99.19 121.79 41.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.163 -0.472 . . . . 64.21 110.299 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 81.0 mt -99.51 111.4 23.76 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.503 0.668 . . . . 74.22 110.597 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -104.84 112.52 25.66 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.913 -1.039 . . . . 74.12 109.397 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.516 HD11 ' HB3' ' A' ' 88' ' ' PHE . 48.1 tp -94.08 118.45 31.55 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.394 -0.366 . . . . 65.3 111.136 -174.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.569 ' HA ' ' O ' ' A' ' 67' ' ' SER . 24.0 m-85 -97.99 141.67 30.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.799 -0.637 . . . . 74.42 110.86 176.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.51 175.5 5.47 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.385 -0.969 . . . . 75.31 108.385 169.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -97.56 -7.09 32.06 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.389 0.515 . . . . 73.43 112.389 -170.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.7 p -110.55 -33.03 6.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.909 0.385 . . . . 70.44 111.513 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.78 -113.17 3.08 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.753 -0.737 . . . . 62.34 111.998 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.569 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 50.2 m -152.02 -81.45 0.1 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.767 0.318 . . . . 75.32 110.906 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -99.09 122.0 41.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.88 0.371 . . . . 54.44 110.946 -175.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 m -127.91 41.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.15 0.5 . . . . 75.05 110.724 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.29 111.26 12.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.086 -0.506 . . . . 72.42 111.759 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.3 t -94.41 -71.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.489 -0.56 . . . . 60.25 109.489 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.7 tp 66.92 21.83 10.27 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.917 -0.583 . . . . 63.1 111.61 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -119.18 4.37 11.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.602 -0.888 . . . . 73.41 108.602 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -101.49 13.99 33.31 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.431 -1.259 . . . . 72.25 110.539 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.409 ' CB ' ' HB ' ' A' ' 39' ' ' VAL . 8.2 p-10 -63.91 -23.95 67.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.529 -0.759 . . . . 72.43 112.884 -171.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.7 m -94.4 3.2 55.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.926 0.393 . . . . 65.24 111.366 -178.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -121.95 160.36 47.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.672 -0.492 . . . . 61.24 109.672 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.563 ' HB3' ' HA ' ' A' ' 36' ' ' GLN . 19.8 Cg_exo -67.3 133.17 29.63 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.086 1.857 . . . . 74.13 110.432 171.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.87 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 35.8 tp -60.53 -29.25 69.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.275 0.559 . . . . 75.53 110.809 -178.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.412 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -67.52 -16.39 67.44 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.912 -0.585 . . . . 73.41 112.708 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -69.24 -30.52 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.117 0.484 . . . . 75.05 109.916 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -86.62 -25.82 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.7 -0.682 . . . . 72.15 109.695 175.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.6 m 65.58 83.45 0.19 Allowed Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 114.949 -1.023 . . . . 53.45 111.182 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.87 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 57.6 Cg_endo -95.09 -164.73 0.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.105 2.537 . . . . 61.31 112.794 -178.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.522 ' H ' ' HE2' ' A' ' 88' ' ' PHE . 96.8 m-85 -112.96 175.87 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 74.11 109.743 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.5 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . 2.2 p-10 -110.51 4.83 20.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.208 0.528 . . . . 61.15 110.101 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.98 21.4 36.07 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.854 -0.688 . . . . 45.22 112.85 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.522 ' HE2' ' H ' ' A' ' 85' ' ' PHE . 35.5 m-85 -80.64 146.51 31.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.823 0.344 . . . . 74.22 110.25 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -115.53 116.09 27.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.052 0.453 . . . . 74.43 110.372 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.405 ' N ' HD13 ' A' ' 90' ' ' LEU . 6.6 mp -87.87 100.56 12.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.742 -0.663 . . . . 71.34 110.233 -177.151 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -87.23 96.05 10.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.181 0.515 . . . . 54.41 109.902 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 67.9 mt -76.53 114.12 16.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.66 -0.7 . . . . 74.41 109.676 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.536 ' HB ' ' HB2' ' A' ' 58' ' ' ALA . 45.5 mm -74.22 110.4 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.975 -0.557 . . . . 73.52 109.98 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.33 99.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.954 -0.566 . . . . 74.32 110.159 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.8 mt -100.87 -163.69 1.04 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.683 -0.689 . . . . 72.0 109.781 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -113.98 107.56 52.05 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 121.294 0.569 . . . . 72.41 110.801 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.773 2.315 . . . . 73.52 111.191 175.656 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.672 -0.492 . . . . 74.31 109.672 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.04 139.32 15.24 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.998 -0.62 . . . . 50.23 111.848 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -82.7 113.63 20.51 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.947 -0.39 . . . . 74.41 109.947 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -85.17 57.98 4.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.166 0.508 . . . . 71.33 109.795 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -79.78 72.13 6.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.485 -0.78 . . . . 74.3 109.877 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -173.87 108.89 0.15 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.097 -0.956 . . . . 71.34 108.979 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -76.9 156.31 32.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.27 -0.423 . . . . 74.25 110.298 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -68.94 110.94 4.66 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.993 -0.743 . . . . 74.42 108.993 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 p -63.93 92.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.457 0.646 . . . . 72.21 112.335 -173.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -153.84 27.14 0.49 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.848 -0.797 . . . . 74.41 108.848 173.317 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.03 41.32 3.04 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.654 -0.703 . . . . 73.15 111.467 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -75.65 -41.05 55.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.696 0.284 . . . . 60.12 110.529 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -98.68 133.27 43.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.155 0.502 . . . . 72.13 110.133 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 m -152.53 153.53 33.63 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.605 -0.725 . . . . 74.42 110.137 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 35.1 m -86.42 153.76 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.271 -0.64 . . . . 71.31 109.271 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.444 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 48.0 m80 -98.5 91.1 5.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.27 0.557 . . . . 72.31 110.922 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.92 113.64 16.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.601 -0.727 . . . . 72.4 109.644 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -93.18 94.32 8.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.03 0.443 . . . . 72.51 110.456 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.529 ' O ' ' HA ' ' A' ' 28' ' ' SER . 58.6 mt -69.63 117.91 13.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.865 -0.607 . . . . 73.32 110.312 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.536 ' O ' ' HA ' ' A' ' 91' ' ' HIS . 10.6 m -122.33 125.74 46.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.231 -0.441 . . . . 74.01 110.051 -178.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.568 ' HD2' ' HB ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -84.61 165.01 18.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.643 0.259 . . . . 72.14 110.872 -178.282 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -99.0 -38.66 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 71.33 110.364 178.481 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -75.29 -63.97 1.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.312 -0.625 . . . . 72.05 109.312 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -87.78 92.64 9.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.946 -0.57 . . . . 65.1 109.782 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -67.85 -27.96 67.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.071 0.462 . . . . 55.15 110.411 -176.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.1 m -69.52 -16.17 63.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.941 -0.572 . . . . 75.02 111.099 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.519 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 92.8 t80 -75.53 106.28 7.0 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.269 0.557 . . . . 75.4 109.907 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.529 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 41.2 m -137.99 114.57 10.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.421 -0.809 . . . . 72.1 109.44 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.46 ' HB2' ' HB ' ' A' ' 19' ' ' ILE . . . -113.8 116.04 28.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.183 -0.462 . . . . 72.05 111.295 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -81.3 102.85 10.67 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.294 -0.632 . . . . 72.3 109.294 174.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -112.93 118.77 35.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.27 -0.423 . . . . 51.55 111.374 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 10.0 ptm180 -89.56 115.39 26.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.078 -0.51 . . . . 52.33 111.038 178.568 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -133.88 141.41 47.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.889 -0.596 . . . . 70.33 109.886 175.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -63.67 143.91 97.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.554 -0.294 . . . . 71.54 110.683 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.551 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 36.2 Cg_endo -64.46 -5.76 10.6 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.079 2.519 . . . . 74.31 113.074 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.52 -13.43 59.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.186 0.517 . . . . 72.25 110.419 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.5 ttt -88.02 146.32 25.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.846 -0.616 . . . . 72.11 109.78 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 p -102.06 163.04 12.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.282 -0.417 . . . . 52.14 110.81 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.505 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 41.4 t -65.81 -34.4 70.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.211 0.529 . . . . 61.33 109.611 176.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -51.78 -44.86 63.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.025 -0.988 . . . . 74.0 111.176 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.47 -33.14 75.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 64.13 111.336 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -74.02 -40.95 52.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.182 0.515 . . . . 72.13 110.021 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -61.17 -30.75 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.452 -0.794 . . . . 55.41 111.552 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.571 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 17.5 tt0 -52.77 -49.59 65.25 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.012 0.434 . . . . 54.13 110.803 176.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -68.28 -35.05 77.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.594 -0.73 . . . . 64.04 111.44 -172.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.99 -36.74 59.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.008 0.432 . . . . 75.01 110.474 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -64.12 -58.13 7.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.733 -0.667 . . . . 75.31 111.411 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.571 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 61.3 pttt -72.9 -6.08 42.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.856 0.36 . . . . 55.23 111.716 -174.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -77.15 -34.6 56.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.364 0.602 . . . . 63.42 109.822 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.7 m -103.46 -49.38 3.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.502 -0.772 . . . . 54.21 111.829 -171.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.88 29.1 35.75 Favored Glycine 0 N--CA 1.453 -0.197 0 N-CA-C 110.858 -0.897 . . . . 74.02 110.858 -172.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.8 m -100.54 157.95 16.28 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.268 -0.466 . . . . 71.32 110.012 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.8 m -55.07 137.0 47.51 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 110.168 -0.308 . . . . 72.13 110.168 176.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.1 p -67.29 -23.29 30.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.87 0.367 . . . . 73.02 111.167 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -77.02 -25.85 53.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.007 0.432 . . . . 43.22 110.661 178.015 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.437 ' HB3' ' HB2' ' A' ' 96' ' ' ASP . 17.0 m -73.72 -24.76 59.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.063 0.458 . . . . 64.24 110.379 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 48.8 ttp -92.18 83.53 5.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.757 -0.656 . . . . 62.41 109.892 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.532 ' HB1' ' HB ' ' A' ' 93' ' ' ILE . . . -89.05 138.56 31.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.823 -0.626 . . . . 64.31 110.215 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.527 ' HG ' HD13 ' A' ' 92' ' ' ILE . 5.9 tt -123.29 120.2 32.38 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.99 -0.744 . . . . 72.04 108.99 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.647 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 38.5 mm-40 -96.14 107.83 20.2 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.795 -0.446 . . . . 74.12 109.795 177.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.1 tp -73.5 87.73 1.61 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.283 0.563 . . . . 74.43 109.796 177.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -95.9 119.76 34.98 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.148 0.795 . . . . 72.34 113.148 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -76.8 145.38 38.52 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.11 -1.811 . . . . 74.41 106.11 157.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -79.75 62.97 4.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.832 0.825 . . . . 73.44 110.81 -171.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.7 m -123.66 -37.1 2.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.476 -1.238 . . . . 62.11 109.606 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.54 -54.06 0.45 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.775 -0.726 . . . . 55.11 112.508 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.5 t -96.74 165.19 12.24 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.04 0.448 . . . . 63.0 110.528 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -80.26 139.49 36.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.82 -0.627 . . . . 74.5 109.833 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.1 m -87.86 -1.5 8.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.821 0.343 . . . . 62.03 111.645 -176.543 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -147.32 150.46 34.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.702 0.287 . . . . 72.21 111.053 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.4 p -70.94 -17.92 20.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.437 0.637 . . . . 72.43 109.91 174.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.408 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 21.5 tp 64.18 20.17 12.07 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.128 -0.942 . . . . 65.41 111.706 175.014 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 44.9 m -82.98 2.02 36.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.336 -0.987 . . . . 53.35 108.336 169.068 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -100.91 24.42 9.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 113.973 -1.467 . . . . 72.33 108.982 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.505 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 11.6 p-10 -71.23 -15.74 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 73.21 111.51 -173.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 t -87.78 -3.13 58.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.271 0.558 . . . . 71.32 109.681 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -89.67 145.69 34.06 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.932 -0.576 . . . . 73.5 110.235 178.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -67.37 135.87 38.11 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.541 2.161 . . . . 73.15 111.207 173.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.3 mt -56.65 -36.15 69.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.228 -0.442 . . . . 70.52 112.184 -175.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.551 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -76.55 -10.97 85.58 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 121.234 -0.508 . . . . 72.31 112.72 -177.499 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -103.25 -0.61 30.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.681 0.753 . . . . 74.33 109.086 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -104.25 -63.87 1.16 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.315 -0.857 . . . . 73.21 109.858 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.4 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 16.3 p -175.26 105.11 0.26 Allowed Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.506 177.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 83' ' ' SER . 4.1 Cg_exo -80.08 71.28 7.13 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 123.318 2.679 . . . . 72.42 112.15 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -66.07 -62.12 1.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.775 -0.648 . . . . 72.35 111.176 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.9 t70 178.46 -56.88 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.373 0.606 . . . . 75.11 109.756 -176.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.444 ' HA3' ' O ' ' A' ' 16' ' ' HIS . . . 167.22 98.37 0.12 Allowed Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.206 -0.906 . . . . 54.21 111.206 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -71.39 161.06 31.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.951 0.405 . . . . 75.23 110.511 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -86.04 107.53 17.84 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.263 -0.643 . . . . 74.04 109.263 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 19' ' ' ILE . 81.6 mt -74.44 88.56 2.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.899 -0.591 . . . . 75.53 109.591 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.647 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 12.1 t-80 -82.44 94.79 7.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.105 0.479 . . . . 71.53 110.215 -177.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.568 ' HB ' ' HD2' ' A' ' 21' ' ' HIS . 47.1 mm -74.31 117.04 17.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.479 -0.782 . . . . 75.15 109.707 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.532 ' HB ' ' HB1' ' A' ' 58' ' ' ALA . 47.2 mm -81.22 107.0 13.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.128 -0.487 . . . . 72.21 110.187 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -72.61 67.68 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.159 -0.682 . . . . 62.51 109.159 173.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.1 tp -75.95 -43.31 45.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 75.14 110.685 -175.54 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.494 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 15.0 t70 -83.07 115.05 56.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.072 -0.513 . . . . 71.31 109.663 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 5.9 Cg_exo . . . . . 0 C--O 1.25 1.119 0 C-N-CA 123.236 2.624 . . . . 72.15 112.475 -175.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.008 0.432 . . . . 74.52 110.698 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.76 65.15 0.25 Allowed Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 111.389 -0.684 . . . . 75.21 111.389 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -74.95 105.5 6.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.66 0.267 . . . . 74.43 110.523 -176.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -123.49 102.51 7.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.654 0.74 . . . . 74.43 109.412 174.116 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -154.81 70.62 0.78 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.346 -0.843 . . . . 72.25 108.998 -176.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -143.41 133.78 24.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.603 -0.726 . . . . 74.22 109.941 -175.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -132.34 162.27 31.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.019 -0.734 . . . . 75.41 109.019 175.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -93.77 -51.26 4.98 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.137 -0.69 . . . . 72.24 109.137 172.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.9 m 63.95 115.83 0.02 OUTLIER 'General case' 0 C--O 1.233 0.196 0 O-C-N 124.186 0.929 . . . . 71.42 111.58 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -72.71 93.44 1.65 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.113 -0.494 . . . . 74.52 109.691 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.22 105.1 1.25 Allowed Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.489 -0.778 . . . . 45.01 112.926 -175.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -102.0 -35.22 9.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.394 0.616 . . . . 74.44 109.458 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -148.39 87.85 1.61 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.242 -0.89 . . . . 53.44 110.246 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.487 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 56.4 p -169.73 133.07 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.935 -0.575 . . . . 73.02 110.64 -177.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.681 HG12 ' HG2' ' A' ' 84' ' ' PRO . 18.6 m -121.35 134.33 65.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.996 0.427 . . . . 63.02 111.063 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -85.64 107.08 17.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.231 -0.441 . . . . 72.32 111.313 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.2 mt -87.21 100.04 12.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.575 -0.898 . . . . 64.34 108.575 171.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.574 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 71.0 m-70 -76.6 101.1 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.778 -0.646 . . . . 75.44 110.332 -172.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.2 mt -86.98 136.18 23.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.02 -0.537 . . . . 71.54 110.623 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.2 m -140.51 142.37 35.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.299 -0.41 . . . . 74.42 110.007 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.493 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 1.9 t-160 -93.02 151.79 19.68 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.59 -0.522 . . . . 74.54 109.59 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' HB1' ' HA ' ' A' ' 93' ' ' ILE . . . -72.19 -53.99 11.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.86 0.362 . . . . 61.45 111.263 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -75.33 -14.9 60.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.236 -0.438 . . . . 73.04 111.277 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' HB3' ' HB3' ' A' ' 21' ' ' HIS . 44.6 tp -120.58 100.47 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 71.22 110.464 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -67.6 -44.8 77.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.724 -0.671 . . . . 72.15 110.978 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 t -86.63 90.72 8.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.017 0.437 . . . . 75.14 109.836 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -133.54 95.37 3.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.824 -0.626 . . . . 74.22 110.182 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.8 m -103.4 86.9 2.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.099 0.476 . . . . 71.53 110.42 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.92 32.2 0.69 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.926 -0.579 . . . . 54.34 111.134 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.508 ' CB ' ' HA ' ' A' ' 18' ' ' HIS . 4.3 p-10 -77.86 155.79 30.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.999 0.428 . . . . 74.31 109.927 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.61 158.84 43.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.143 -0.481 . . . . 75.45 111.126 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.487 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 11.8 ptt180 -89.75 108.62 19.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.781 -0.645 . . . . 55.33 109.508 173.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -98.17 160.41 14.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.135 -0.484 . . . . 73.21 111.254 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.3 m -81.16 118.54 72.78 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.478 -0.783 . . . . 72.42 109.61 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.455 ' HB2' ' CA ' ' A' ' 80' ' ' GLY . 20.7 Cg_endo -61.22 -19.98 66.03 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.053 2.502 . . . . 61.55 114.018 -174.039 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -71.34 1.9 5.57 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.839 -0.538 . . . . 63.32 112.032 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 57.4 ttp -97.99 134.95 40.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.678 -0.49 . . . . 74.13 109.678 173.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.0 p -83.2 151.6 25.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.9 0.381 . . . . 65.35 110.83 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.498 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 43.4 t -68.84 -29.07 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.283 0.563 . . . . 64.02 109.891 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.506 ' HB2' ' HA ' ' A' ' 76' ' ' SER . 45.5 tt0 -62.5 -40.44 96.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.864 -0.607 . . . . 60.42 110.418 175.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.3 87.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.104 -0.498 . . . . 74.42 111.454 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.488 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.7 p -75.11 -30.65 23.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.617 -0.433 . . . . 55.34 110.826 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.498 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 93.8 mttt -61.24 -51.34 69.37 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.12 -0.696 . . . . 75.14 109.12 173.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.437 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 30.0 tt0 -57.16 -45.86 83.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.861 -1.063 . . . . 62.31 110.801 178.372 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -63.12 -37.55 87.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.851 -0.613 . . . . 74.54 111.434 -176.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.6 mt -75.67 -37.39 59.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.1 0.476 . . . . 71.12 110.415 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -60.47 -43.35 97.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.889 -0.596 . . . . 74.21 110.559 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.469 ' HZ1' ' HB3' ' A' ' 48' ' ' LYS . 9.5 mtpm? -62.08 -19.96 63.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.013 -0.54 . . . . 75.33 111.419 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -86.88 -52.0 5.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.449 -0.341 . . . . 74.41 111.256 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.4 m -99.64 -39.31 8.34 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.528 0.566 . . . . 71.21 112.528 -173.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.91 22.24 39.63 Favored Glycine 0 N--CA 1.454 -0.127 0 C-N-CA 120.539 -0.838 . . . . 52.24 112.113 -174.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.9 m -90.21 134.58 34.2 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.202 -0.295 . . . . 71.35 110.202 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 m -53.48 133.65 40.78 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.39 -0.368 . . . . 63.2 111.067 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.26 -16.07 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 112.15 0.426 . . . . 73.52 112.15 -173.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -81.51 -28.29 34.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.851 0.358 . . . . 75.22 110.279 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.7 m -75.46 -25.79 57.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.409 0.624 . . . . 54.44 109.86 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.4 ttp -89.64 71.43 7.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.627 -0.715 . . . . 55.24 109.188 174.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.444 ' HB1' ' HB ' ' A' ' 93' ' ' ILE . . . -82.96 125.09 31.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.39 -0.823 . . . . 64.21 111.226 -176.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.5 mt -110.57 97.4 6.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.281 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.65 111.95 13.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.941 0.401 . . . . 74.12 110.237 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.501 HD13 ' HB3' ' A' ' 88' ' ' PHE . 34.0 tp -78.52 101.43 7.36 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.794 -0.639 . . . . 65.3 110.035 178.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -90.01 118.7 29.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.979 -0.555 . . . . 74.42 110.03 177.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -81.44 153.92 26.65 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.994 -0.743 . . . . 75.31 108.994 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -94.11 55.14 2.01 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.354 0.597 . . . . 73.43 110.382 -176.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -161.25 -54.9 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.779 -0.646 . . . . 70.44 110.044 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.43 -92.18 1.74 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.204 -0.522 . . . . 62.34 112.376 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -164.28 -75.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.739 0.305 . . . . 75.32 111.065 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -124.0 126.33 46.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.424 -0.353 . . . . 54.44 110.765 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 m -122.64 74.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.552 0.692 . . . . 75.05 110.835 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.61 94.7 5.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.756 -0.656 . . . . 72.42 111.383 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.1 t -93.11 -41.44 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.092 -0.707 . . . . 60.25 109.092 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.9 tp 61.61 37.98 15.75 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.842 -1.072 . . . . 63.1 111.427 174.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.8 t -127.26 4.36 6.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 122.104 0.954 . . . . 73.41 108.562 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -118.59 -9.61 10.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.592 -1.186 . . . . 72.25 110.333 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.461 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 9.5 p-10 -76.97 -28.18 55.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.473 -0.785 . . . . 72.43 110.6 -175.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.506 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 9.7 m -89.56 14.41 11.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.828 -0.624 . . . . 65.24 110.287 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.4 mmm-85 -121.27 157.47 55.73 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.032 -0.729 . . . . 61.24 109.032 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -59.2 117.77 4.56 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 121.838 1.692 . . . . 74.13 110.368 172.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.55 ' O ' ' HD3' ' A' ' 84' ' ' PRO . 14.8 tp -62.36 -24.67 67.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.42 -0.354 . . . . 75.53 110.704 -172.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.455 ' CA ' ' HB2' ' A' ' 35' ' ' PRO . . . -66.64 -36.84 91.92 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.424 -0.417 . . . . 73.41 112.102 176.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -68.09 -36.99 80.69 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.569 -0.53 . . . . 75.05 109.569 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -69.06 -30.84 69.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.41 -0.813 . . . . 72.15 110.334 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.6 t 66.13 91.17 0.08 OUTLIER Pre-proline 0 C--N 1.333 -0.112 0 CA-C-N 115.559 -0.746 . . . . 53.45 110.029 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.681 ' HG2' HG12 ' A' ' 15' ' ' VAL . 83.7 Cg_endo -83.49 154.81 13.98 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.465 2.11 . . . . 61.31 112.227 -175.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -117.8 142.45 47.27 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.099 -0.5 . . . . 74.11 109.803 177.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -75.84 89.99 2.91 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.231 0.539 . . . . 61.15 110.638 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.52 30.09 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.88 -0.676 . . . . 45.22 111.926 177.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.501 ' HB3' HD13 ' A' ' 61' ' ' LEU . 93.3 m-85 -131.03 151.18 51.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.668 0.27 . . . . 74.22 110.418 -178.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.574 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 79.1 mtt85 -124.16 134.36 53.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.323 -0.398 . . . . 74.43 110.878 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.3 mt -95.09 101.39 13.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.745 -0.661 . . . . 71.34 109.768 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -89.97 101.06 13.76 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.081 -0.34 . . . . 54.41 110.081 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 45.0 mt -69.57 106.61 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.839 -0.619 . . . . 74.41 109.938 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.488 ' HA ' ' HB1' ' A' ' 22' ' ' ALA . 47.1 mm -79.71 121.5 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.352 -0.386 . . . . 73.52 110.476 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.64 96.95 5.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.087 -0.506 . . . . 74.32 110.325 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.4 mt -103.51 -168.07 1.46 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.324 -0.398 . . . . 72.0 110.029 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.494 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 8.1 p-10 -92.78 141.39 24.32 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.829 -0.623 . . . . 72.41 110.911 -178.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.494 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 9.8 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 123.533 2.822 . . . . 73.52 112.582 -177.263 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 121.132 0.491 . . . . 63.13 110.068 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -104.14 36.41 4.39 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.874 -0.679 . . . . 53.45 112.689 -176.32 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -98.01 104.43 16.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.905 -0.776 . . . . 64.15 108.905 177.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -123.58 149.8 44.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.026 -0.534 . . . . 63.02 111.277 -174.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -148.73 149.2 31.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 72.1 110.344 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.2 m170 -124.85 158.46 33.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.545 -0.539 . . . . 75.03 109.545 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -85.04 63.59 8.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.095 0.474 . . . . 74.02 110.855 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -82.75 120.68 25.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.764 -0.653 . . . . 75.4 109.539 176.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.4 m -77.63 111.5 13.45 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.004 -0.543 . . . . 74.31 111.372 -178.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -94.33 153.8 17.81 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.097 -0.705 . . . . 74.32 109.097 173.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.66 -121.4 0.13 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.567 -0.825 . . . . 60.54 112.611 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.47 76.39 1.53 Allowed 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.974 -0.38 . . . . 72.42 109.974 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -177.65 130.29 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.509 -0.769 . . . . 71.53 109.035 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.519 ' HB3' ' HB2' ' A' ' 32' ' ' ARG . 62.0 m -155.41 121.46 5.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.716 0.293 . . . . 52.35 110.884 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.673 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 29.8 m -77.12 132.8 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.326 -0.397 . . . . 72.33 110.483 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.427 ' HB2' ' HA3' ' A' ' 87' ' ' GLY . 34.3 m80 -89.22 88.25 7.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.347 -0.388 . . . . 72.41 111.738 -172.563 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.474 HD11 ' HD2' ' A' ' 33' ' ' PHE . 88.6 mt -84.78 100.53 11.59 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.538 -0.542 . . . . 64.25 109.538 175.588 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.516 ' HB2' ' HD3' ' A' ' 89' ' ' ARG . 38.3 m-70 -80.54 111.0 16.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.95 -0.568 . . . . 74.43 110.01 -176.212 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.4 mm -83.49 108.11 15.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.959 0.409 . . . . 52.42 110.577 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 m -118.28 145.67 44.88 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.05 -0.523 . . . . 60.21 110.057 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.424 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 20.8 m-70 -120.07 177.14 5.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.052 0.453 . . . . 73.13 111.304 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -108.99 -32.96 7.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.378 -0.828 . . . . 44.21 108.915 171.494 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -69.31 -34.44 74.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.424 -0.807 . . . . 72.41 109.203 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mp -115.09 101.94 9.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.051 -0.977 . . . . 72.41 108.575 173.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -55.73 -31.89 62.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.7 -0.682 . . . . 72.15 112.137 -174.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.9 t -139.73 99.9 3.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.223 -0.658 . . . . 75.4 109.223 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -99.31 122.91 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.905 -0.589 . . . . 74.2 110.148 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 p -80.61 91.84 5.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.994 -0.548 . . . . 64.23 110.891 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -164.17 109.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.132 -0.486 . . . . 73.23 110.996 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -109.86 102.06 10.86 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.454 -0.573 . . . . 71.44 109.454 173.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.05 91.14 8.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.254 -0.43 . . . . 71.1 110.619 -176.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.673 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 11.0 ptt180 -93.44 108.92 20.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.442 0.639 . . . . 71.11 110.233 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.474 ' HD2' HD11 ' A' ' 17' ' ' LEU . 74.0 m-85 -104.31 178.15 4.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.657 -0.701 . . . . 75.41 111.477 -175.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 22.0 p -82.83 145.79 51.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.301 -0.863 . . . . 61.02 110.862 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -57.7 150.29 62.78 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.224 2.616 . . . . 42.4 113.135 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.53 ' HA ' ' H ' ' A' ' 80' ' ' GLY . 37.2 mt-30 65.17 21.68 12.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.217 -0.901 . . . . 74.25 113.244 177.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.78 142.44 54.92 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.611 -0.515 . . . . 70.55 109.611 172.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 t -77.02 123.2 26.01 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.805 -0.443 . . . . 74.5 109.805 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.563 HG12 ' HE3' ' A' ' 43' ' ' LYS . 7.8 t -71.0 -28.77 34.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.328 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 44.5 tt0 -62.52 -35.19 78.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.161 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.18 89.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.973 -0.558 . . . . 53.43 111.59 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.1 p -79.25 -30.55 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.663 -0.415 . . . . 73.04 110.364 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.563 ' HE3' HG12 ' A' ' 39' ' ' VAL . 98.4 mttt -66.32 -37.13 84.67 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.775 0.321 . . . . 74.32 110.174 175.595 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' HG2' ' HE2' ' A' ' 48' ' ' LYS . 28.8 tt0 -61.03 -37.41 82.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 73.2 110.111 175.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 60.8 tttt -71.03 -35.34 71.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.906 -0.588 . . . . 75.33 109.937 -178.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 96.0 mt -65.51 -39.35 91.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.087 0.47 . . . . 72.13 110.136 174.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -62.22 -36.06 80.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.729 -0.669 . . . . 73.43 110.4 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HE2' ' HG2' ' A' ' 44' ' ' GLU . 54.5 mtmt -80.14 12.03 3.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.96 -0.563 . . . . 74.34 111.759 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -64.02 -45.31 89.5 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.594 -0.521 . . . . 70.43 109.594 171.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.3 p -139.19 -0.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.707 -0.679 . . . . 72.54 111.121 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.23 38.76 53.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.837 -0.697 . . . . 44.14 111.756 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.5 m -135.92 144.84 45.71 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.103 -0.332 . . . . 62.25 110.103 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 m -58.21 148.48 26.93 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.901 0.381 . . . . 72.1 111.031 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.47 81.29 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.284 0.564 . . . . 72.33 109.805 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -114.5 -37.96 4.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.683 -0.689 . . . . 54.14 110.623 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.8 p -86.99 6.29 33.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.988 -0.551 . . . . 64.13 111.281 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.9 ttm -134.55 131.55 38.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.187 -0.46 . . . . 64.54 110.236 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.405 ' HB1' ' HB ' ' A' ' 93' ' ' ILE . . . -114.9 130.75 56.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.36 -0.382 . . . . 73.3 110.539 178.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.1 mt -101.0 100.89 11.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.002 0.43 . . . . 74.14 110.647 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -87.54 111.87 21.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.02 -0.536 . . . . 65.41 111.059 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.3 tp -86.51 113.7 22.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.035 -0.529 . . . . 74.24 110.216 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.485 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 27.0 m-85 -114.49 135.91 53.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.262 0.553 . . . . 74.11 112.086 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.653 ' HB3' ' HB2' ' A' ' 67' ' ' SER . 20.7 t70 -82.5 124.33 30.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.051 -0.977 . . . . 74.35 109.38 173.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.7 t70 72.01 -64.35 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.977 0.798 . . . . 62.11 111.002 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' SER . . . . . 0.498 ' HA ' ' HG3' ' A' ' 89' ' ' ARG . 73.4 m -161.76 -51.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.393 -0.367 . . . . 71.1 111.881 -177.474 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.56 -25.78 3.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 119.787 -1.196 . . . . 55.5 114.161 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.653 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 20.0 m -60.76 116.19 4.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.005 0.402 . . . . 75.13 111.316 -174.709 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -76.64 106.07 8.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.082 -0.508 . . . . 61.01 110.218 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.7 m -124.38 34.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.059 0.456 . . . . 75.32 110.979 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.64 108.61 2.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.932 -0.576 . . . . 71.11 110.85 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 p -129.19 145.05 36.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.691 -0.686 . . . . 73.14 109.663 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.9 tp -117.51 102.22 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.266 0.555 . . . . 74.31 110.652 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.4 t -164.88 22.28 0.06 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.315 -0.994 . . . . 73.54 108.315 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.481 ' HB2' HG22 ' A' ' 39' ' ' VAL . 5.0 p-10 -114.11 -11.35 12.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.423 -1.262 . . . . 55.55 112.02 -167.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.42 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 31.0 m-20 -64.75 -42.81 94.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.271 0.558 . . . . 54.51 110.494 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.2 m -99.91 9.85 42.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.832 -0.622 . . . . 72.34 111.227 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 14.3 mmt180 -133.24 138.43 31.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.388 . . . . 73.3 111.583 -173.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -65.02 125.09 14.05 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.563 2.176 . . . . 71.22 110.968 173.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.89 -31.52 64.96 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.907 0.384 . . . . 75.32 111.706 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.53 ' H ' ' HA ' ' A' ' 36' ' ' GLN . . . -75.11 -20.25 79.35 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.878 -0.677 . . . . 73.11 112.947 -177.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -68.07 -30.13 69.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.958 0.408 . . . . 74.34 110.105 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -74.66 -18.17 60.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.709 -0.678 . . . . 71.45 110.294 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t 66.9 95.37 0.05 OUTLIER Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.448 -0.796 . . . . 74.22 110.625 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.451 ' HG2' HG12 ' A' ' 15' ' ' VAL . 7.8 Cg_exo -73.17 151.62 49.51 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 123.08 2.52 . . . . 73.33 112.589 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -63.89 -60.76 2.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.859 -0.609 . . . . 72.35 110.345 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -166.31 -56.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.509 -0.769 . . . . 72.14 109.114 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.427 ' HA3' ' HB2' ' A' ' 16' ' ' HIS . . . -160.7 156.61 27.97 Favored Glycine 0 N--CA 1.436 -1.314 0 CA-C-N 114.953 -1.021 . . . . 65.22 111.546 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -128.46 164.15 23.37 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.957 0.408 . . . . 74.04 110.503 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.516 ' HD3' ' HB2' ' A' ' 18' ' ' HIS . 16.6 mmt180 -96.11 111.16 23.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.89 -0.596 . . . . 75.32 110.38 177.297 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.5 mt -90.5 92.15 8.74 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.041 -0.726 . . . . 72.31 109.041 174.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -88.54 98.13 11.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.832 -0.622 . . . . 73.34 110.197 -175.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.9 mt -76.75 112.38 14.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.487 -0.778 . . . . 75.03 110.5 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.405 ' HB ' ' HB1' ' A' ' 58' ' ' ALA . 45.0 mm -76.31 100.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.433 -0.58 . . . . 72.21 109.433 176.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.424 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 23.0 m-20 -83.07 92.71 7.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.931 -0.577 . . . . 74.4 110.867 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.84 71.99 6.55 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.649 -1.241 . . . . 73.43 107.649 172.19 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -110.9 119.75 45.23 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.013 -0.994 . . . . 70.22 110.497 -172.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 C--O 1.248 1.008 0 C-N-CA 122.646 2.23 . . . . 70.44 112.001 178.429 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 109.582 -0.525 . . . . 74.52 109.582 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 139.94 144.33 4.5 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.849 -0.691 . . . . 75.21 111.97 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -119.39 131.66 55.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.933 -0.395 . . . . 74.43 109.933 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -108.38 95.18 5.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.771 0.796 . . . . 74.43 110.418 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -124.07 5.76 8.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.769 -1.105 . . . . 72.25 109.362 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -77.52 76.48 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.317 -0.856 . . . . 74.22 110.901 -174.314 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -98.17 163.27 12.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.728 -0.669 . . . . 75.41 109.525 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -111.46 129.83 55.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.747 0.308 . . . . 72.24 110.766 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.9 m -68.76 150.33 47.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.773 -0.649 . . . . 71.42 111.04 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.76 19.55 1.15 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.16 0.505 . . . . 74.52 110.552 179.006 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -102.12 -130.73 7.11 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.796 -0.716 . . . . 45.01 112.016 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -150.75 65.05 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.457 0.646 . . . . 74.44 110.53 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.406 ' O ' ' HB3' ' A' ' 14' ' ' SER . 4.5 p-10 -172.57 128.17 0.52 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.698 -0.683 . . . . 53.44 109.764 175.832 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 13' ' ' ASP . 36.5 p 173.58 114.93 0.02 OUTLIER 'General case' 0 C--O 1.232 0.155 0 O-C-N 123.527 0.517 . . . . 73.02 111.995 173.799 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 33' ' ' PHE . 20.7 m -109.99 100.34 10.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.875 -0.787 . . . . 63.02 108.875 164.003 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -77.53 82.55 3.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.441 -0.799 . . . . 72.32 111.726 -176.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.684 HD11 HD22 ' A' ' 79' ' ' LEU . 92.9 mt -86.11 106.07 16.98 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.858 -0.61 . . . . 64.34 109.766 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.654 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 70.5 m-70 -77.88 112.68 15.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.063 -0.517 . . . . 75.44 110.191 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.527 ' HB ' ' HB2' ' A' ' 29' ' ' ALA . 58.7 mt -76.42 122.36 30.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.883 0.373 . . . . 71.54 110.338 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.9 m -131.17 129.79 42.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.247 -0.433 . . . . 74.42 110.216 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.446 ' HB3' ' HB2' ' A' ' 24' ' ' LEU . 5.7 t-160 -97.73 149.96 21.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.759 -0.46 . . . . 74.54 109.759 -176.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.92 -39.55 83.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.666 0.27 . . . . 61.45 110.966 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -75.7 -34.35 60.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.784 0.326 . . . . 73.04 110.855 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.446 ' HB2' ' HB3' ' A' ' 21' ' ' HIS . 90.6 mt -106.77 92.9 4.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.491 -0.322 . . . . 71.22 110.29 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -50.56 -51.99 43.09 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.941 0.775 . . . . 72.15 111.572 -177.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 t -105.2 96.62 6.65 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.323 0.582 . . . . 75.14 109.9 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -103.58 114.75 29.25 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.114 -0.699 . . . . 74.22 109.114 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.3 m -81.91 83.2 7.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.879 0.371 . . . . 71.53 111.097 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.527 ' HB2' ' HB ' ' A' ' 19' ' ' ILE . . . -147.83 89.93 1.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.258 0.552 . . . . 54.34 110.902 177.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -107.38 123.24 48.08 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.047 -0.723 . . . . 74.31 109.047 174.212 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.26 137.13 42.25 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.774 -0.648 . . . . 75.45 109.649 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.3 ptt85 -94.92 100.99 12.75 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.582 0.706 . . . . 55.33 109.747 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.471 ' O ' HG22 ' A' ' 15' ' ' VAL . 90.1 m-85 -84.37 169.23 14.83 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.433 -0.803 . . . . 73.21 109.712 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.432 ' C ' ' H ' ' A' ' 36' ' ' GLN . 16.0 p -101.06 149.8 36.54 Favored Pre-proline 0 C--N 1.317 -0.843 0 N-CA-C 109.664 -0.495 . . . . 72.42 109.664 175.401 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.477 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 59.0 Cg_endo -70.84 15.3 0.3 Allowed 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 122.724 2.283 . . . . 61.55 113.191 -178.119 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.432 ' H ' ' C ' ' A' ' 34' ' ' SER . 48.2 mt-30 -83.45 -35.61 24.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.84 0.352 . . . . 63.32 111.158 -178.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 58.8 ttp -78.46 138.54 38.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.241 -0.436 . . . . 74.13 110.464 -175.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 m -93.01 155.79 17.31 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.143 -0.317 . . . . 65.35 110.143 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.573 ' HB ' ' HA ' ' A' ' 75' ' ' ASP . 28.4 t -65.91 -31.96 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.71 0.767 . . . . 64.02 109.797 177.455 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -57.9 -34.22 69.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.993 -1.003 . . . . 60.42 111.016 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.95 82.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.002 -0.545 . . . . 74.42 111.892 -176.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.528 HG12 ' O ' ' A' ' 39' ' ' VAL . 10.2 p -67.31 -33.65 64.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.863 -0.335 . . . . 55.34 110.98 -177.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -58.69 -55.11 39.37 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.117 0.484 . . . . 75.14 110.188 175.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.01 -40.43 80.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.348 -0.842 . . . . 62.31 111.18 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.438 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 25.2 ttmt -70.58 -35.73 73.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.11 -0.495 . . . . 74.54 111.236 -176.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.425 ' HG ' ' O ' ' A' ' 42' ' ' VAL . 94.8 mt -68.73 -36.97 79.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.964 0.412 . . . . 71.12 110.259 175.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 26.4 t90 -64.22 -26.38 68.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.697 -0.683 . . . . 74.21 110.461 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -85.25 -41.28 15.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.281 -0.418 . . . . 75.33 110.734 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -67.9 -56.18 10.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.873 -0.603 . . . . 74.41 111.684 -175.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.4 m -92.81 -22.45 19.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.387 -0.37 . . . . 71.21 110.971 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.67 27.2 73.6 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.675 -0.774 . . . . 52.24 112.41 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.4 m -124.22 147.56 47.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.167 -0.308 . . . . 71.35 110.167 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.5 m -64.61 136.98 57.56 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.225 0.328 . . . . 63.2 110.835 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.437 ' C ' ' H ' ' A' ' 56' ' ' SER . 30.3 m -80.34 0.39 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.953 0.406 . . . . 73.52 111.405 -177.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -80.39 32.06 0.29 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.742 0.782 . . . . 75.22 110.218 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.523 ' HA ' HD12 ' A' ' 95' ' ' LEU . 47.3 m -147.61 19.94 1.17 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.559 0.695 . . . . 54.44 109.302 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.6 ttp -151.61 101.0 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.226 -0.897 . . . . 55.24 109.401 -177.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.429 ' HB1' ' HB ' ' A' ' 93' ' ' ILE . . . -87.28 142.78 27.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.115 -0.493 . . . . 64.21 111.27 -174.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -101.31 102.48 13.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.093 -0.503 . . . . 74.22 109.982 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.968 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 6.3 mm-40 -90.42 110.82 21.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.83 -0.623 . . . . 74.12 110.378 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.575 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 54.0 tp -84.07 107.11 16.22 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.51 -0.552 . . . . 65.3 109.51 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.446 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 2.0 m-85 -83.47 120.49 25.98 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.855 -0.611 . . . . 74.42 111.328 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.87 138.66 35.68 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.69 -1.226 . . . . 75.31 107.69 168.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -97.98 -0.96 43.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.134 0.493 . . . . 73.43 111.03 -171.22 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.0 t -84.98 -38.64 19.03 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.029 -0.73 . . . . 70.44 109.029 175.26 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.98 -91.15 1.77 Allowed Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.577 -0.738 . . . . 62.34 111.521 174.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.2 m -165.95 -62.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.768 0.318 . . . . 75.32 111.477 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' HE2' ' OE2' ' A' ' 60' ' ' GLU . 42.6 tttm -131.03 125.67 33.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.491 -0.322 . . . . 54.44 111.473 -168.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.575 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 25.2 m -138.91 145.56 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.735 -0.468 . . . . 75.05 109.735 175.846 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.64 107.59 0.07 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.294 -0.412 . . . . 72.42 111.004 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.9 t -78.5 -53.87 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.149 -0.686 . . . . 60.25 109.149 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.6 tp 71.65 8.42 6.16 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.113 -0.949 . . . . 63.1 111.101 173.353 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.9 t -94.62 -15.9 23.63 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.683 -1.228 . . . . 73.41 107.683 169.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -84.76 -8.9 58.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.903 -1.499 . . . . 72.25 110.953 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.573 ' HA ' ' HB ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -64.46 -28.75 69.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 72.43 110.393 -177.735 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.1 m -88.9 4.03 49.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.793 -0.64 . . . . 65.24 110.48 -177.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.4 mmm-85 -119.19 168.79 9.21 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.174 -0.676 . . . . 61.24 109.174 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -62.79 145.74 94.89 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.985 1.79 . . . . 74.13 110.944 173.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.684 HD22 HD11 ' A' ' 17' ' ' LEU . 22.5 tp -60.02 -26.47 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.953 0.406 . . . . 75.53 110.879 -177.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.477 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -74.7 -10.29 83.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.988 -0.625 . . . . 73.41 112.902 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -73.54 -38.71 65.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.108 0.48 . . . . 75.05 109.73 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -89.76 -40.55 12.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.76 -0.655 . . . . 72.15 109.573 175.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 t 63.94 80.32 0.24 Allowed Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 115.447 -0.797 . . . . 53.45 111.813 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_exo -77.01 130.69 11.47 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.881 2.387 . . . . 61.31 111.078 174.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -94.78 -173.45 3.0 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.07 0.462 . . . . 74.11 111.51 -174.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -70.5 -11.24 60.8 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.508 -0.769 . . . . 61.15 112.558 -172.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.37 -2.17 80.21 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.678 -0.772 . . . . 45.22 112.685 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.404 ' HB3' HD13 ' A' ' 61' ' ' LEU . 95.9 m-85 -99.51 145.97 26.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.268 0.556 . . . . 74.22 111.67 -176.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.654 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 77.9 mtt180 -128.09 145.92 50.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.774 -0.648 . . . . 74.43 109.973 178.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.481 HD11 HD12 ' A' ' 17' ' ' LEU . 83.9 mt -100.85 106.13 17.47 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.161 -0.311 . . . . 71.34 110.161 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.968 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 9.4 t-160 -94.78 105.14 17.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.03 0.443 . . . . 54.41 110.31 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -79.15 108.68 13.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 74.41 110.201 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.429 ' HB ' ' HB1' ' A' ' 58' ' ' ALA . 31.4 mm -81.86 124.59 39.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.972 0.415 . . . . 73.52 110.999 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -93.1 121.08 34.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.71 -0.677 . . . . 74.32 109.744 177.131 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.523 HD12 ' HA ' ' A' ' 56' ' ' SER . 94.2 mt -101.87 -157.31 0.6 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.393 -0.595 . . . . 72.0 109.393 175.531 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -97.14 117.07 66.08 Favored Pre-proline 0 C--N 1.323 -0.571 0 C-N-CA 121.016 -0.273 . . . . 72.41 110.283 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 C--O 1.246 0.917 0 C-N-CA 123.137 2.558 . . . . 73.52 112.096 -179.167 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.712 0.291 . . . . 75.13 110.361 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.28 -170.02 26.16 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.934 -0.65 . . . . 71.24 112.11 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.9 m80 63.25 -160.01 0.31 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.728 0.411 . . . . 64.15 110.34 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -130.31 122.63 28.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.046 0.45 . . . . 75.22 109.878 174.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -92.89 78.38 4.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.155 -0.475 . . . . 74.33 110.536 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -119.8 -50.72 2.28 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.871 -0.331 . . . . 75.2 110.979 -177.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 59.0 m170 65.49 103.09 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.811 0.694 . . . . 72.23 110.685 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -58.05 -39.74 79.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.307 -0.406 . . . . 74.24 110.448 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 t 61.92 -165.1 0.23 Allowed 'General case' 0 CA--C 1.539 0.52 0 O-C-N 123.753 0.658 . . . . 65.44 111.423 173.149 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -143.68 34.95 1.28 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.949 -0.569 . . . . 74.31 109.824 177.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.52 60.58 4.55 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.829 -0.623 . . . . 39.08 112.001 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -101.13 94.4 5.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.083 0.468 . . . . 52.34 111.268 -176.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -171.29 -179.93 2.79 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.236 -1.024 . . . . 71.44 108.236 176.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.504 ' HB3' ' O ' ' A' ' 33' ' ' PHE . 28.1 m 61.52 -172.18 0.15 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 123.406 0.441 . . . . 73.24 111.023 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -114.94 143.01 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.872 0.368 . . . . 65.41 110.353 177.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.485 ' HB2' ' HB2' ' A' ' 86' ' ' ASP . 0.1 OUTLIER -98.36 94.59 6.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.059 -0.519 . . . . 73.24 110.982 179.003 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.98 121.53 38.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.651 -0.704 . . . . 73.22 109.592 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.888 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 37.8 m-70 -87.79 116.34 25.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.476 -0.329 . . . . 72.04 110.252 -178.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.0 mt -81.82 116.98 27.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.973 -0.558 . . . . 72.15 110.284 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.532 ' OG1' ' HA ' ' A' ' 91' ' ' HIS . 40.9 p -118.8 137.13 53.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.156 -0.475 . . . . 74.03 110.524 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -95.17 131.8 40.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.133 -0.692 . . . . 75.44 109.133 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.429 ' HA ' ' NE2' ' A' ' 91' ' ' HIS . . . -56.11 -44.92 79.57 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.142 0.423 . . . . 71.42 112.142 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -75.32 -18.6 59.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.266 -0.424 . . . . 62.15 111.875 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.9 mt -130.4 97.55 4.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.916 0.339 . . . . 75.12 111.916 -173.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -66.71 -24.34 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.035 0.445 . . . . 74.34 110.475 176.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 m -66.19 -26.19 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.942 -0.572 . . . . 73.15 110.785 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -88.06 102.43 14.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.185 -0.461 . . . . 74.05 109.973 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -145.52 63.2 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.725 -0.671 . . . . 75.03 109.978 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.25 134.37 34.14 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.781 -0.645 . . . . 65.11 110.657 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.431 ' HA ' ' HA ' ' A' ' 18' ' ' HIS . 5.7 p-10 -81.14 129.84 34.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.099 0.476 . . . . 75.33 109.836 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.19 160.63 18.06 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 116.056 -0.52 . . . . 72.25 109.68 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -116.06 118.93 34.26 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.341 0.591 . . . . 64.43 110.126 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.504 ' O ' ' HB3' ' A' ' 14' ' ' SER . 90.6 m-85 -127.27 153.71 45.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.838 -0.619 . . . . 74.51 110.015 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 p -96.92 117.75 65.56 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 116.138 -0.483 . . . . 74.51 109.959 176.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.79 -5.14 6.86 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.999 2.466 . . . . 74.2 113.254 -176.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -69.12 -19.8 64.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.858 0.361 . . . . 75.4 110.198 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.9 ttt -88.94 136.63 32.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.86 -0.609 . . . . 64.35 110.306 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.5 m -79.58 139.99 37.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.266 -0.424 . . . . 70.22 110.628 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.48 -27.19 42.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.248 0.547 . . . . 72.21 110.568 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.596 ' HA ' ' NZ ' ' A' ' 43' ' ' LYS . 6.0 tp10 -59.19 -32.43 69.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.776 -0.647 . . . . 74.03 111.059 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.33 4.16 53.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.866 0.365 . . . . 70.51 111.313 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.2 t -97.61 -30.74 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.477 -0.329 . . . . 61.42 111.051 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.596 ' NZ ' ' HA ' ' A' ' 40' ' ' GLU . 59.2 mttp -56.12 -57.01 14.0 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.058 -0.519 . . . . 70.45 112.039 -174.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.12 -38.82 92.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.42 -0.354 . . . . 74.25 111.004 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.38 -42.94 99.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 71.04 110.853 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.42 -40.7 89.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 73.1 110.467 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -61.04 -46.6 90.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.657 -0.701 . . . . 74.43 111.036 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -79.0 -6.35 56.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.363 -0.38 . . . . 72.14 111.187 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -90.64 -50.68 5.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.407 -0.36 . . . . 73.24 110.705 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.7 t -170.08 -24.76 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.227 -0.442 . . . . 71.41 111.677 -174.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.26 172.33 38.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.896 -0.668 . . . . 45.12 112.668 -178.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 p -90.13 -175.31 4.5 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.567 0.222 . . . . 65.34 111.193 -178.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -57.69 134.04 55.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 62.53 111.341 -175.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.82 88.86 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.104 0.478 . . . . 74.04 109.9 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.6 t30 178.36 -58.88 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.066 -0.97 . . . . 71.32 109.015 -175.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.95 -13.13 36.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.956 -1.02 . . . . 74.11 110.475 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.9 ttp -98.03 101.95 13.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.652 -0.704 . . . . 64.32 109.926 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.513 ' HB2' ' HB ' ' A' ' 93' ' ' ILE . . . -99.82 145.87 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.86 0.362 . . . . 52.23 111.189 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.7 mt -108.93 96.18 6.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.274 -0.421 . . . . 75.34 110.523 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -102.18 111.14 23.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.07 0.462 . . . . 75.14 110.95 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.658 ' H ' ' HB2' ' A' ' 70' ' ' ALA . 41.7 tp -82.41 110.09 17.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.903 -0.59 . . . . 71.14 110.233 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -89.09 140.12 29.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.971 -0.559 . . . . 70.32 110.876 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.429 ' HB2' HG12 ' A' ' 69' ' ' VAL . 27.5 t70 -82.09 78.46 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.051 -0.722 . . . . 75.31 109.051 173.565 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 70.55 -65.69 0.32 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.545 -1.207 . . . . 74.11 111.13 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -168.62 120.09 0.78 Allowed 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 123.858 0.863 . . . . 53.33 108.95 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.79 141.98 3.08 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.563 -0.827 . . . . 74.34 111.306 -175.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m 62.92 103.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.627 0.727 . . . . 71.14 111.102 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 pttp -91.63 132.52 36.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.926 -0.579 . . . . 74.05 109.774 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.429 HG12 ' HB2' ' A' ' 63' ' ' ASP . 29.7 m -98.84 9.98 7.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.329 0.585 . . . . 60.11 110.838 -174.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.658 ' HB2' ' H ' ' A' ' 61' ' ' LEU . . . -84.27 87.02 7.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.758 -0.655 . . . . 75.44 110.813 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.6 p -89.38 -21.44 6.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.985 -0.552 . . . . 74.4 110.397 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 56.14 80.94 0.13 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.688 -0.687 . . . . 62.53 111.033 -176.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.3 t -138.42 -36.17 0.58 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.437 -0.802 . . . . 71.43 109.69 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.24 26.28 9.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.465 0.65 . . . . 72.21 109.675 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.472 ' CG ' ' HZ3' ' A' ' 43' ' ' LYS . 12.2 t70 -59.83 -42.41 93.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.874 -1.057 . . . . 72.0 111.407 -178.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.1 m -96.12 17.34 15.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.223 -0.444 . . . . 74.42 111.431 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -110.25 160.2 29.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.09 -0.337 . . . . 75.22 110.09 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.88 106.86 1.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.334 2.023 . . . . 74.13 111.268 173.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.483 HD11 ' O ' ' A' ' 79' ' ' LEU . 1.5 tm? -61.72 -32.53 72.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 73.04 110.417 -176.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.54 -14.92 60.9 Favored Glycine 0 CA--C 1.518 0.256 0 CA-C-N 115.867 -0.606 . . . . 75.21 112.872 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -78.74 -31.69 46.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.055 0.455 . . . . 74.14 109.879 175.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.403 ' C ' ' HG ' ' A' ' 83' ' ' SER . 34.1 t80 -78.04 -74.47 0.26 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.747 -0.66 . . . . 74.42 109.928 -178.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.403 ' HG ' ' C ' ' A' ' 82' ' ' PHE . 69.9 m -162.32 129.83 2.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 74.2 111.032 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -83.68 126.72 4.1 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.237 1.958 . . . . 70.2 111.431 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -146.75 162.09 39.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.853 0.359 . . . . 71.41 111.593 -176.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.485 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . 4.6 p-10 -141.67 146.62 36.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 65.32 109.749 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.82 -31.48 3.91 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.424 -0.893 . . . . 72.23 112.221 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.5 ' HB3' HD11 ' A' ' 61' ' ' LEU . 74.5 m-85 -66.5 146.89 54.03 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.913 0.387 . . . . 74.51 110.163 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.888 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 56.4 mtm180 -119.51 127.61 53.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.035 0.445 . . . . 74.23 111.141 -176.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.7 mt -82.0 108.83 15.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.51 -0.768 . . . . 74.52 109.892 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.532 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 5.7 t-160 -92.16 96.35 10.27 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.863 -0.791 . . . . 71.2 108.863 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.76 111.82 3.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.876 -0.602 . . . . 74.53 110.303 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.514 HG22 ' HG ' ' A' ' 95' ' ' LEU . 42.8 mm -93.0 78.81 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.997 -0.742 . . . . 63.24 108.997 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -90.63 99.8 12.76 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.651 0.739 . . . . 61.54 109.753 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.514 ' HG ' HG22 ' A' ' 93' ' ' ILE . 86.5 mt -103.84 21.51 16.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.493 -0.776 . . . . 73.44 110.775 -175.813 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.424 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 4.7 m-20 -55.78 136.89 71.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.105 -0.498 . . . . 71.41 110.722 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 50.9 Cg_exo . . . . . 0 C--O 1.246 0.887 0 C-N-CA 123.294 2.663 . . . . 62.34 112.572 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.013 0.435 . . . . 63.13 110.32 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.71 71.81 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.942 -0.647 . . . . 53.45 112.005 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -67.47 109.86 3.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.773 0.32 . . . . 64.15 110.198 177.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -92.97 126.01 37.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.033 0.444 . . . . 63.02 111.374 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -117.26 157.28 26.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.824 -0.625 . . . . 72.1 109.613 176.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -125.04 142.56 51.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.956 0.408 . . . . 75.03 111.045 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -86.36 57.52 4.53 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.912 -0.773 . . . . 74.02 108.912 175.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -87.33 110.75 20.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.635 -0.711 . . . . 75.4 110.536 -175.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.8 p -58.79 139.21 56.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.822 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -150.46 148.39 28.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.562 -0.29 . . . . 74.32 110.649 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.65 121.76 8.94 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 108.892 -1.683 . . . . 60.54 108.892 165.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -76.15 80.95 2.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.751 0.786 . . . . 72.42 111.539 -169.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -145.61 106.41 4.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.6 -1.182 . . . . 71.53 108.818 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.743 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 55.8 m -152.61 161.57 42.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.475 -0.329 . . . . 52.35 110.633 -175.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 m -95.5 169.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.128 -0.487 . . . . 72.33 110.502 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -122.48 84.04 2.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.471 -0.331 . . . . 72.41 110.151 -176.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.408 HD11 ' HD2' ' A' ' 33' ' ' PHE . 86.2 mt -76.74 110.46 11.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.071 0.462 . . . . 64.25 110.146 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -85.15 102.83 13.6 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.84 -0.618 . . . . 74.43 110.29 -175.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.493 HD12 ' HB2' ' A' ' 90' ' ' LEU . 51.3 mm -88.03 122.59 39.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.058 -0.519 . . . . 52.42 110.405 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 m -139.22 125.09 19.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.35 -0.386 . . . . 60.21 110.705 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -84.57 160.84 20.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.5 -0.318 . . . . 73.13 110.61 178.069 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.59 -27.49 15.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.205 0.526 . . . . 44.21 109.76 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.11 -53.13 10.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.5 -0.773 . . . . 72.41 109.807 176.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.46 101.51 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.849 -0.614 . . . . 72.41 109.482 176.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -77.47 -21.56 52.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.078 -0.51 . . . . 72.15 111.519 -175.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.6 m -97.28 9.96 40.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.18 0.514 . . . . 75.4 110.569 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -94.21 93.0 7.52 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.367 -0.605 . . . . 74.2 109.367 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.8 m -113.68 99.53 7.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.809 -0.632 . . . . 64.23 110.341 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.37 127.19 50.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.057 -0.519 . . . . 73.23 109.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -100.87 105.06 16.3 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.142 0.496 . . . . 71.44 109.82 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.494 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . . . -93.5 100.04 12.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.597 -0.729 . . . . 71.1 111.05 -175.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -87.36 122.3 30.94 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.802 -0.636 . . . . 71.11 109.94 178.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 31' ' ' ALA . 67.9 m-85 -133.67 139.43 46.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.906 -0.588 . . . . 75.41 110.448 -179.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.403 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 22.3 m -69.45 136.09 88.56 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.365 -0.606 . . . . 61.02 109.365 174.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.743 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 6.1 Cg_exo -72.61 77.07 2.25 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.512 2.141 . . . . 42.4 112.576 -175.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -176.29 74.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.962 -0.563 . . . . 74.25 109.939 173.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.5 ttt -153.15 147.02 25.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.964 -0.562 . . . . 70.55 109.841 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -86.18 134.84 33.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.968 0.413 . . . . 74.5 110.356 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.487 HG11 HD23 ' A' ' 72' ' ' LEU . 36.3 t -64.07 -29.89 48.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.535 . . . . 72.34 110.627 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.62 -29.27 69.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.812 -0.631 . . . . 71.33 110.855 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.23 -44.11 31.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 53.43 111.136 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.55 -36.35 70.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 120.808 -0.357 . . . . 73.04 110.808 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -61.39 -37.4 83.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.952 0.406 . . . . 74.32 110.513 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.02 -41.55 95.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.202 -0.454 . . . . 73.2 110.974 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -67.46 -31.92 72.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.487 -0.324 . . . . 75.33 110.378 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.5 mt -72.83 -39.4 66.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.196 175.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -57.63 -38.37 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.699 -0.682 . . . . 73.43 110.569 177.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -67.35 -5.23 13.52 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.839 -0.619 . . . . 74.34 112.345 -178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -81.67 -42.96 19.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.867 0.365 . . . . 70.43 110.901 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.7 p -110.6 -25.47 9.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.292 -0.413 . . . . 72.54 111.647 -177.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.99 25.71 63.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.675 -0.774 . . . . 44.14 111.561 -176.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.3 m -142.84 138.29 30.21 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.46 -0.57 . . . . 62.25 109.46 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.5 m -59.75 138.14 57.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.916 0.388 . . . . 72.1 111.282 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.3 t -70.66 108.59 2.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 72.33 109.87 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -139.64 -32.47 0.64 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.076 -0.511 . . . . 54.14 111.325 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.8 p -81.09 -59.85 2.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.867 0.365 . . . . 64.13 111.115 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.5 ttm -67.22 120.5 13.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 64.54 110.573 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.494 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -89.2 140.23 29.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.3 -0.409 . . . . 73.3 111.319 -175.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.7 mt -113.64 118.1 33.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.975 -0.557 . . . . 74.14 109.588 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -109.78 135.32 50.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.942 0.401 . . . . 65.41 111.418 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.666 ' HB3' ' HA ' ' A' ' 70' ' ' ALA . 65.9 tp -101.79 109.21 20.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.481 -0.781 . . . . 74.24 109.759 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.407 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 63.2 m-85 -110.15 133.47 53.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.206 0.527 . . . . 74.11 111.795 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.79 ' HB3' ' HB2' ' A' ' 67' ' ' SER . 6.8 t70 -86.95 118.22 26.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.331 -0.849 . . . . 74.35 109.587 174.056 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 70.08 -63.73 0.38 Allowed 'General case' 0 C--O 1.235 0.291 0 O-C-N 124.211 0.944 . . . . 62.11 110.817 -177.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.7 m -164.79 -65.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.89 -0.596 . . . . 71.1 111.237 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.0 -13.68 52.02 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.566 -0.826 . . . . 55.5 114.104 -170.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.79 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 15.7 m -74.4 106.32 5.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.237 0.519 . . . . 75.13 110.601 -178.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -82.21 89.95 6.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.033 0.444 . . . . 61.01 109.91 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.1 m -111.27 40.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.929 -0.578 . . . . 75.32 110.869 -175.594 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.666 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -70.26 93.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.838 -0.619 . . . . 71.11 111.388 -177.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.5 p -146.23 119.05 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.965 -0.561 . . . . 73.14 110.202 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.487 HD23 HG11 ' A' ' 39' ' ' VAL . 59.9 tp -146.24 119.32 8.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.074 -0.512 . . . . 74.31 110.169 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -122.31 -24.05 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.277 -0.42 . . . . 73.54 110.861 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.699 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -96.06 52.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.074 0.464 . . . . 55.55 111.096 -178.501 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.41 ' HA ' ' HB ' ' A' ' 39' ' ' VAL . 3.4 m-20 -57.65 -38.85 75.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.447 0.642 . . . . 54.51 110.885 177.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 p -90.35 21.73 3.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.702 -0.681 . . . . 72.34 111.564 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.699 ' HB2' ' HB2' ' A' ' 74' ' ' ASP . 13.9 mmt180 -125.16 154.8 71.72 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.18 -0.464 . . . . 73.3 110.531 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.56 ' O ' ' HD1' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -71.59 121.59 7.83 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.563 2.175 . . . . 71.22 112.211 178.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -53.94 -19.8 5.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.094 -0.503 . . . . 75.32 111.756 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.41 -31.83 77.82 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.005 -0.616 . . . . 73.11 113.481 -177.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . 0.56 ' HD1' ' O ' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -83.69 -13.33 54.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.43 0.615 . . . . 74.34 110.265 -177.0 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -77.83 -23.98 48.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.8 -0.636 . . . . 71.45 110.482 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m 64.79 90.78 0.08 OUTLIER Pre-proline 0 C--O 1.234 0.246 0 CA-C-N 115.839 -0.619 . . . . 74.22 110.793 -176.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.26 164.42 26.74 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.666 2.244 . . . . 73.33 112.579 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -73.81 -68.7 0.49 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.964 -0.562 . . . . 72.35 110.266 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -174.07 -68.63 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.231 0.539 . . . . 72.14 109.981 175.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.59 97.04 0.2 Allowed Glycine 0 N--CA 1.439 -1.16 0 C-N-CA 120.679 -0.772 . . . . 65.22 112.515 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -81.05 163.14 23.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.803 0.335 . . . . 74.04 110.209 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.413 ' HD3' ' HA ' ' A' ' 89' ' ' ARG . 23.0 mmt180 -95.38 98.54 10.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.11 -0.495 . . . . 75.32 110.575 177.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.493 ' HB2' HD12 ' A' ' 19' ' ' ILE . 91.2 mt -85.15 83.79 7.9 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.881 -0.785 . . . . 72.31 108.881 175.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -87.83 100.64 13.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.381 -0.827 . . . . 73.34 110.003 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 72.2 mt -69.02 115.34 7.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.304 -0.862 . . . . 75.03 110.274 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.494 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 43.9 mm -83.03 102.63 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.98 -0.555 . . . . 72.21 109.503 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -70.27 88.52 0.63 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.918 -0.583 . . . . 74.4 110.441 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.95 12.38 6.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.558 -0.746 . . . . 73.43 109.935 178.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -113.67 93.5 28.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.333 -0.849 . . . . 70.22 109.762 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 C--O 1.246 0.915 0 C-N-CA 123.187 2.591 . . . . 70.44 111.919 -178.616 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptm . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.685 0.279 . . . . 73.35 110.463 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.55 76.29 1.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 62.53 112.953 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -148.47 96.37 2.59 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.126 -0.324 . . . . 74.15 110.126 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -76.29 162.48 27.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.469 0.652 . . . . 72.41 111.728 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -141.35 63.85 1.43 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.072 -1.455 . . . . 73.12 107.072 172.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -119.75 103.31 9.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.747 -0.66 . . . . 71.04 111.602 -171.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -139.28 -178.07 5.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.821 -0.627 . . . . 71.5 109.537 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -141.36 79.71 1.7 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.309 0.576 . . . . 73.14 110.779 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 t -100.26 99.5 10.18 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.417 -0.811 . . . . 75.42 109.268 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -68.24 106.57 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.051 -0.522 . . . . 64.4 109.913 -177.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.1 -33.08 0.79 Allowed Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.65 -0.786 . . . . 74.12 111.953 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.8 t70 57.67 43.0 22.95 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.922 0.868 . . . . 71.12 109.062 -178.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.41 84.43 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.872 -1.058 . . . . 72.31 109.936 -177.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.0 m -155.52 165.93 35.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.155 -0.475 . . . . 62.5 109.863 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.634 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 19.3 m -92.17 126.31 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.84 -0.43 . . . . 71.31 109.84 176.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -90.43 89.15 7.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.128 0.489 . . . . 74.14 110.931 -174.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -88.75 108.12 19.32 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.026 -0.534 . . . . 75.21 110.064 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -79.76 125.23 29.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.873 0.368 . . . . 71.21 110.775 -174.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.45 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 65.7 mt -85.5 121.93 37.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.107 -0.497 . . . . 74.12 110.294 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.471 ' O ' ' HA ' ' A' ' 91' ' ' HIS . 21.2 m -111.21 105.5 14.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.068 0.461 . . . . 72.52 109.887 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.46 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 9.6 t-160 -82.53 147.99 28.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.005 -0.543 . . . . 73.43 109.669 -177.548 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.8 -63.93 1.07 Allowed 'General case' 0 C--O 1.233 0.209 0 N-CA-C 111.674 0.25 . . . . 72.33 111.674 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -64.15 -48.03 77.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 74.23 110.837 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.46 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 8.4 mp -88.02 91.63 8.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.349 -0.612 . . . . 72.41 109.349 175.561 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -64.81 -39.04 92.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.583 -0.735 . . . . 72.13 112.289 -173.409 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.5 m -97.89 79.93 2.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.198 0.523 . . . . 73.21 110.611 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 35.7 t80 -98.29 95.16 7.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.882 -0.784 . . . . 75.43 108.882 177.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.9 m -85.45 79.19 9.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.949 -0.568 . . . . 73.25 111.12 -176.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -159.9 112.84 2.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.803 -0.635 . . . . 72.11 110.805 178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -94.51 130.73 40.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.708 -0.478 . . . . 65.32 109.708 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.407 ' HB3' ' HE2' ' A' ' 33' ' ' PHE . . . -86.93 87.39 7.45 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.493 -0.558 . . . . 73.44 109.493 177.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.634 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 8.5 ptp180 -88.71 114.1 24.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.391 0.615 . . . . 73.14 110.696 -177.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.407 ' HE2' ' HB3' ' A' ' 31' ' ' ALA . 96.0 m-85 -124.12 161.59 25.31 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.698 -0.683 . . . . 71.21 109.798 177.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.436 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 19.6 m -55.65 135.63 71.44 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.213 -0.448 . . . . 74.05 110.728 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 37.3 Cg_exo -61.57 -12.8 26.26 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.885 2.39 . . . . 65.31 112.328 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.405 ' HA ' ' HB3' ' A' ' 78' ' ' PRO . 69.6 mt-30 -88.2 -3.52 58.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.992 -0.549 . . . . 73.5 111.058 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' MET . . . . . 0.707 ' HE1' ' HB3' ' A' ' 41' ' ' ALA . 24.7 ttt -83.82 139.89 32.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.213 -0.449 . . . . 73.52 111.037 -179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.427 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 9.4 p -101.56 162.34 12.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.709 -0.678 . . . . 71.35 110.12 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.496 ' O ' HG12 ' A' ' 42' ' ' VAL . 8.7 p -69.38 -13.93 17.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 121.415 0.626 . . . . 73.4 110.494 -177.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.09 -33.29 68.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.769 -0.651 . . . . 54.1 110.84 176.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.707 ' HB3' ' HE1' ' A' ' 37' ' ' MET . . . -78.43 8.43 5.13 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.604 0.594 . . . . 75.23 112.604 -171.79 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.496 HG12 ' O ' ' A' ' 39' ' ' VAL . 7.4 p -122.53 -12.08 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.681 -0.408 . . . . 75.34 110.81 177.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -62.54 -58.83 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.245 0.545 . . . . 65.55 111.305 -175.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -73.19 -26.72 61.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.552 -0.749 . . . . 70.34 110.392 -177.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 30.5 ttmt -66.06 -43.59 87.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.286 -0.87 . . . . 74.11 110.692 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.5 mt -74.88 -33.52 62.08 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.964 0.412 . . . . 64.42 110.514 177.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -58.45 -46.58 86.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.705 -0.679 . . . . 72.4 111.211 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -82.46 0.42 42.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.83 0.348 . . . . 75.33 111.294 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.532 ' HG2' ' SG ' ' A' ' 50' ' ' CYS . 56.3 tttp -88.05 -61.05 1.8 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.361 -0.381 . . . . 75.55 110.965 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.532 ' SG ' ' HG2' ' A' ' 49' ' ' LYS . 63.3 m -112.54 6.58 18.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.724 0.268 . . . . 73.23 111.724 -174.66 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.12 48.58 85.41 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.74 -0.743 . . . . 40.43 112.211 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.6 t -133.25 158.99 41.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.707 0.289 . . . . 65.02 110.421 -175.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.0 m -96.18 149.19 21.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.117 -0.492 . . . . 75.42 109.997 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.9 m -65.5 -16.21 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 73.03 111.539 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -81.41 -19.14 43.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.399 0.619 . . . . 74.41 109.997 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 m -91.18 2.39 56.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.896 -0.593 . . . . 61.12 110.271 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.829 ' HE1' HD22 ' A' ' 59' ' ' LEU . 28.1 ttt -122.5 97.84 5.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.559 -0.746 . . . . 71.12 109.759 179.325 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.519 ' HB2' ' HB ' ' A' ' 93' ' ' ILE . . . -72.93 111.44 8.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.14 0.495 . . . . 74.25 111.198 -176.345 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.829 HD22 ' HE1' ' A' ' 57' ' ' MET . 95.6 mt -113.6 107.52 15.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.705 -0.679 . . . . 65.22 110.82 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.649 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 51.8 mt-10 -91.73 95.44 9.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.027 0.442 . . . . 74.23 110.156 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.507 ' HB3' ' HB1' ' A' ' 70' ' ' ALA . 65.2 tp -79.56 100.44 7.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.767 -0.651 . . . . 74.41 110.823 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.567 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 24.1 m-85 -90.75 160.3 15.88 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.652 -0.499 . . . . 71.23 109.652 176.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -61.51 -47.41 85.72 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.42 -0.585 . . . . 64.31 109.42 171.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.687 ' HA ' ' HG2' ' A' ' 89' ' ' ARG . 31.3 t70 161.22 -34.86 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 125.029 1.331 . . . . 71.03 107.74 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -76.01 -42.21 48.71 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.585 -1.188 . . . . 62.34 110.388 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.68 -1.74 0.62 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.197 -1.002 . . . . 75.11 113.131 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.9 m -88.56 125.1 34.63 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.566 -0.531 . . . . 65.21 109.566 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 24.2 pttm -69.36 123.74 22.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.361 0.6 . . . . 75.33 110.218 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -109.23 15.79 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.808 -0.633 . . . . 73.14 110.593 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.507 ' HB1' ' HB3' ' A' ' 61' ' ' LEU . . . -80.25 77.77 6.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.605 -0.725 . . . . 75.22 111.133 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.6 -30.42 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.879 -0.6 . . . . 74.41 109.519 174.28 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 54.02 72.75 0.43 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 114.984 -1.007 . . . . 71.12 111.465 176.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 t -133.67 1.6 3.38 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.879 0.847 . . . . 75.34 108.786 171.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -116.78 23.54 11.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.745 -1.116 . . . . 61.35 109.829 -173.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.467 ' HA ' HG13 ' A' ' 39' ' ' VAL . 7.0 p-10 -54.26 -43.53 71.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.476 -0.784 . . . . 71.44 111.993 -175.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.13 26.83 9.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.084 -0.507 . . . . 74.53 110.834 -177.099 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -130.34 154.66 81.54 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 62.41 110.501 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.405 ' HB3' ' HA ' ' A' ' 36' ' ' GLN . 37.4 Cg_endo -67.56 129.53 20.25 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.5 2.134 . . . . 70.12 112.093 177.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.521 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 56.6 tp -63.86 -32.15 73.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 74.41 111.166 -178.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.2 -18.65 69.46 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 116.205 -0.452 . . . . 64.4 112.783 -177.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -76.63 -26.21 54.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.104 0.478 . . . . 74.22 110.279 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -75.21 -26.71 59.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 64.34 110.748 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 t 64.19 71.0 0.62 Allowed Pre-proline 0 CA--C 1.532 0.28 0 CA-C-O 121.343 0.592 . . . . 74.14 109.843 -174.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.521 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 66.0 Cg_endo -98.18 -172.11 0.15 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.435 2.757 . . . . 74.45 113.345 -176.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -89.18 130.56 35.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.522 -0.763 . . . . 74.31 109.829 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -83.9 91.64 7.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.239 0.542 . . . . 72.54 110.783 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 142.01 50.42 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.66 -0.781 . . . . 73.23 112.762 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -77.05 167.48 21.73 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.751 0.31 . . . . 73.41 110.746 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.687 ' HG2' ' HA ' ' A' ' 64' ' ' ASP . 13.4 mmt180 -111.62 110.78 21.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.208 -0.451 . . . . 70.42 111.07 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.45 ' HB2' ' HA ' ' A' ' 19' ' ' ILE . 94.2 mt -90.23 86.87 6.63 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.918 -0.401 . . . . 72.32 109.918 174.502 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.649 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 11.3 t-80 -81.18 104.94 12.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.993 0.425 . . . . 55.51 110.444 -177.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.4 HG12 ' CD2' ' A' ' 59' ' ' LEU . 59.7 mt -88.07 112.5 23.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.601 -0.727 . . . . 61.24 110.147 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.519 ' HB ' ' HB2' ' A' ' 58' ' ' ALA . 49.0 mm -71.28 126.42 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.546 -0.538 . . . . 64.54 109.546 176.036 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.1 93.04 6.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.075 0.464 . . . . 53.32 111.099 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -135.06 13.22 3.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.66 -0.7 . . . . 64.03 110.073 176.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.467 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 31.4 t70 -83.31 115.67 60.38 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.937 -0.574 . . . . 72.5 110.693 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.467 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 8.0 Cg_exo . . . . . 0 C--O 1.251 1.155 0 C-N-CA 123.415 2.743 . . . . 72.55 112.408 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.713 0.292 . . . . 61.43 110.309 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.55 84.3 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.833 -0.699 . . . . 74.15 112.157 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -80.72 117.39 21.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.114 0.483 . . . . 75.21 110.162 177.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -116.08 100.11 7.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.074 -0.512 . . . . 75.21 110.119 -176.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -87.67 100.93 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.046 -0.661 . . . . 63.04 110.411 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -158.45 41.38 0.26 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.677 0.751 . . . . 63.55 110.316 173.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -122.42 34.26 5.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.277 -0.874 . . . . 73.32 108.713 171.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -162.57 86.96 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.753 -1.112 . . . . 73.21 109.067 -174.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -177.48 155.99 1.14 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.191 -0.459 . . . . 72.52 110.127 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -110.44 11.68 23.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.136 0.493 . . . . 73.01 109.827 172.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.25 122.84 3.37 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.717 -0.754 . . . . 64.23 111.592 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -134.92 -169.12 2.29 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.701 -0.852 . . . . 72.53 108.701 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -64.46 138.44 58.42 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.248 -0.649 . . . . 55.31 109.248 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 m -140.71 140.02 34.81 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.72 0.295 . . . . 75.4 110.635 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.5 m -92.76 113.9 28.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.363 0.601 . . . . 74.34 109.408 173.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -84.63 90.39 7.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.787 -0.642 . . . . 73.33 110.075 -176.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.5 mt -80.49 126.58 31.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.696 -0.684 . . . . 75.32 110.412 -177.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -99.01 101.38 12.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.81 0.338 . . . . 73.21 110.736 176.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.424 ' HB ' ' HB2' ' A' ' 29' ' ' ALA . 73.7 mt -75.18 121.2 26.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.922 -0.581 . . . . 71.0 110.042 178.038 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.9 m -120.89 106.69 11.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.81 -0.632 . . . . 73.52 109.728 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.693 ' HD1' ' HB2' ' A' ' 24' ' ' LEU . 5.3 t-160 -88.57 139.01 30.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.265 -0.425 . . . . 71.42 110.185 -175.46 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.52 -71.08 0.34 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.32 0.489 . . . . 72.23 112.32 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.427 ' H ' ' HB3' ' A' ' 94' ' ' ASP . 3.3 t-20 -55.39 -48.86 73.68 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.758 0.313 . . . . 71.33 110.765 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.693 ' HB2' ' HD1' ' A' ' 21' ' ' HIS . 96.7 mt -90.24 92.61 9.0 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.535 -0.542 . . . . 71.35 109.535 173.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -70.57 -32.76 70.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.929 -0.578 . . . . 62.04 111.486 -174.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.6 m -89.23 19.0 4.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.276 -0.42 . . . . 72.31 111.31 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -85.52 100.36 11.86 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.656 -0.498 . . . . 71.4 109.656 177.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p -103.58 123.01 46.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.994 -0.548 . . . . 71.34 110.879 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.424 ' HB2' ' HB ' ' A' ' 19' ' ' ILE . . . -150.49 101.42 2.95 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.11 -0.495 . . . . 73.42 111.032 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -101.33 105.79 16.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.663 0.744 . . . . 74.35 109.799 174.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.54 137.07 42.94 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.599 -0.728 . . . . 44.43 110.887 -175.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -105.88 116.08 31.33 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.136 -0.484 . . . . 65.01 110.24 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -117.25 171.63 7.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.971 -0.559 . . . . 73.3 110.708 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 m -74.74 137.86 73.64 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.452 177.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.14 163.46 31.5 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.516 2.144 . . . . 73.34 111.756 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.631 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 45.1 mt-30 66.79 24.42 9.87 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.877 -0.601 . . . . 74.21 110.62 -177.441 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.4 ttt -76.61 139.07 40.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.462 -0.79 . . . . 75.32 110.156 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -85.42 142.45 29.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.16 0.505 . . . . 75.13 110.76 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.598 ' O ' HG12 ' A' ' 42' ' ' VAL . 38.9 t -71.04 -24.26 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.87 -0.605 . . . . 74.51 111.12 -176.34 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 32.6 tt0 -62.07 -18.55 61.05 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.929 0.395 . . . . 73.34 110.975 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.91 89.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 75.42 111.046 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.0 p -80.01 -18.49 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.106 0.479 . . . . 74.43 110.255 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.573 ' O ' ' HB2' ' A' ' 47' ' ' TRP . 55.4 mmtt -64.85 -28.26 69.43 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.655 -0.702 . . . . 52.2 110.597 177.042 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -94.95 -33.18 12.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 54.34 110.497 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 1.028 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -62.55 -38.56 90.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.115 -0.493 . . . . 74.32 111.351 -174.751 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.417 ' HB2' HG11 ' A' ' 54' ' ' VAL . 94.1 mt -96.19 0.87 51.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.132 0.492 . . . . 72.24 110.823 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.573 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 5.7 t90 -79.91 3.81 18.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.959 -0.564 . . . . 72.05 110.511 -175.421 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -102.29 -1.7 30.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 51.34 110.534 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -99.78 -47.5 5.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.909 0.385 . . . . 75.14 110.238 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.9 p -136.47 120.27 17.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.059 -0.518 . . . . 54.22 110.859 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -82.48 6.51 68.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.089 -0.576 . . . . 74.32 112.153 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -87.79 14.0 9.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.856 0.36 . . . . 75.0 110.316 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.9 t 71.87 145.26 0.07 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.537 -0.756 . . . . 65.04 110.252 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.417 HG11 ' HB2' ' A' ' 46' ' ' LEU . 10.5 m -73.12 85.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.906 0.86 . . . . 71.42 110.894 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -127.92 -45.84 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.041 -0.981 . . . . 74.52 109.749 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 p -79.67 1.08 27.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.721 -0.672 . . . . 74.25 110.553 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.611 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 43.0 ttp -141.19 39.88 1.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.396 -0.965 . . . . 70.2 108.396 177.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.13 165.71 23.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.094 -0.957 . . . . 52.24 111.845 -175.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.425 ' CD2' HG12 ' A' ' 92' ' ' ILE . 80.3 mt -104.38 111.18 23.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.641 -0.709 . . . . 73.32 111.097 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.597 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 11.9 mm-40 -81.19 94.63 6.71 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.474 -0.565 . . . . 71.31 109.474 172.123 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.406 HD13 ' HB3' ' A' ' 88' ' ' PHE . 42.9 tp -83.4 108.98 16.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.182 -0.463 . . . . 72.44 110.34 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.539 ' HE1' ' HE2' ' A' ' 68' ' ' LYS . 58.9 m-85 -105.16 84.95 2.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.744 -0.662 . . . . 73.12 110.605 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -84.78 164.61 18.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.127 -0.488 . . . . 71.34 110.461 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.3 t70 62.24 21.16 12.28 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.503 -0.771 . . . . 65.41 110.126 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.4 m 78.06 -41.09 0.32 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.085 -0.961 . . . . 73.05 113.074 174.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.51 13.15 5.14 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 119.597 -1.287 . . . . 37.55 114.507 -173.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.2 m -119.75 138.0 53.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.756 0.778 . . . . 75.41 110.903 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.539 ' HE2' ' HE1' ' A' ' 62' ' ' TYR . 15.5 ptpt -92.29 129.67 38.17 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.619 -0.512 . . . . 74.32 109.619 176.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.5 m -122.27 16.04 5.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.224 -0.444 . . . . 73.33 111.548 -174.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.18 60.39 3.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.189 0.519 . . . . 64.45 110.928 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 p -97.81 -14.12 7.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.694 -0.685 . . . . 70.14 110.269 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 59.09 71.62 0.57 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.368 -0.833 . . . . 73.42 111.813 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 p -133.5 18.24 3.96 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.163 -1.051 . . . . 64.41 108.163 173.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.562 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -148.49 23.59 1.01 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.079 -1.419 . . . . 53.21 110.48 -165.252 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.52 -34.55 74.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.465 -0.789 . . . . 74.13 111.585 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.6 m -126.09 21.71 7.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.005 0.431 . . . . 72.12 110.071 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.562 ' CG ' ' HA ' ' A' ' 74' ' ' ASP . 26.8 mmm180 -88.51 134.4 34.34 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.888 -0.597 . . . . 72.43 110.709 -177.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -65.71 114.56 2.98 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.352 2.035 . . . . 51.25 111.684 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.631 ' H ' ' HA ' ' A' ' 36' ' ' GLN . 93.6 mt -61.2 -16.34 43.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 75.14 111.889 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.44 ' H ' ' HG2' ' A' ' 36' ' ' GLN . . . -70.82 -34.16 66.1 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.895 -0.669 . . . . 64.01 111.994 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -71.93 -24.95 61.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.352 0.596 . . . . 74.03 110.232 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -91.36 -2.56 57.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.576 -0.738 . . . . 73.14 110.186 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.7 m 69.71 111.09 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.573 -0.74 . . . . 54.03 110.09 -174.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.97 139.99 93.31 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.874 2.383 . . . . 73.22 113.189 -174.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -101.48 142.61 32.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.863 -0.791 . . . . 62.4 108.863 175.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -89.55 10.0 24.57 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.402 0.519 . . . . 64.43 112.402 -172.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -163.55 67.81 0.22 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 119.813 -1.184 . . . . 37.55 113.513 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.406 ' HB3' HD13 ' A' ' 61' ' ' LEU . 90.7 m-85 -65.64 133.96 52.24 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.684 -0.487 . . . . 64.54 109.684 175.805 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.428 ' HB2' ' O ' ' A' ' 62' ' ' TYR . 29.1 mmt180 -104.78 101.34 10.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.068 0.461 . . . . 74.24 111.416 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 88.9 mt -93.1 95.44 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.743 -0.662 . . . . 71.23 110.441 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.597 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 10.5 t-80 -90.2 100.55 13.36 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.781 -0.452 . . . . 72.12 109.781 177.654 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.425 HG12 ' CD2' ' A' ' 59' ' ' LEU . 52.4 mt -73.42 115.6 14.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.796 -0.638 . . . . 63.43 110.331 -178.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.611 ' O ' ' HA ' ' A' ' 57' ' ' MET . 46.8 mm -72.66 91.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.23 -0.656 . . . . 74.44 109.23 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.427 ' HB3' ' H ' ' A' ' 23' ' ' ASN . 7.3 t70 -95.42 83.78 3.89 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.716 -0.675 . . . . 65.12 109.979 -176.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 94.4 mt -119.02 -9.56 10.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.34 -0.845 . . . . 64.34 110.462 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.419 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 13.2 t70 -72.99 119.71 77.02 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 75.55 110.447 -177.361 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 22.8 Cg_exo . . . . . 0 C--O 1.251 1.157 0 C-N-CA 123.159 2.573 . . . . 75.33 112.54 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 111.466 0.173 . . . . 71.2 111.466 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.43 -35.22 1.56 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.592 -0.814 . . . . 71.12 112.203 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -73.45 101.98 3.66 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.241 -0.651 . . . . 64.2 109.241 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -73.3 138.56 45.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.377 0.608 . . . . 72.4 111.797 -171.585 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -122.98 150.9 42.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.362 -0.836 . . . . 73.22 109.232 173.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 68.19 -173.89 0.19 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.837 0.455 . . . . 64.34 111.161 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -172.18 157.43 4.23 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.581 -0.896 . . . . 75.45 108.581 174.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.416 ' O ' ' HB2' ' A' ' 9' ' ' SER . 2.2 p-80 -127.22 -161.96 1.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.736 0.273 . . . . 75.31 111.736 -174.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.416 ' HB2' ' O ' ' A' ' 8' ' ' HIS . 40.9 m 82.4 119.96 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 O-C-N 124.252 0.97 . . . . 75.23 111.933 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 74.09 18.79 3.11 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.045 -0.979 . . . . 74.54 112.3 173.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.82 73.92 2.41 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.008 -0.837 . . . . 52.14 111.008 174.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -94.72 147.22 23.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.431 0.158 . . . . 72.23 110.773 -176.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 t70 63.54 31.92 14.47 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.597 0.713 . . . . 74.34 109.603 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.2 p -72.46 129.07 37.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.283 -0.871 . . . . 51.22 111.375 -175.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.589 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 18.5 m -75.05 135.84 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.845 -0.616 . . . . 73.01 110.184 177.322 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 18.2 t-160 -94.22 106.74 18.72 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.953 -0.567 . . . . 71.05 110.403 -176.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.664 HD22 ' HD2' ' A' ' 85' ' ' PHE . 94.8 mt -107.66 157.87 17.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.833 -0.622 . . . . 74.42 110.68 -178.186 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.773 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 83.0 m-70 -125.71 100.66 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.138 -0.483 . . . . 73.11 109.866 177.28 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.576 ' HB ' ' HB2' ' A' ' 29' ' ' ALA . 61.5 mt -84.35 98.38 5.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.212 0.53 . . . . 71.32 109.889 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.441 ' HG1' ' HA ' ' A' ' 91' ' ' HIS . 20.8 p -88.22 121.27 30.43 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.5 -0.773 . . . . 72.35 111.539 -175.328 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -91.34 132.51 36.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.167 -0.679 . . . . 73.03 109.167 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.71 -37.89 22.12 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.659 0.244 . . . . 71.33 111.659 -175.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . 0.428 ' HB2' ' CG ' ' A' ' 94' ' ' ASP . 16.4 t-20 -56.47 -48.36 77.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.373 0.606 . . . . 70.02 109.779 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mp -121.63 96.05 4.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.527 -0.761 . . . . 75.43 109.076 173.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -67.18 -20.67 65.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.105 0.478 . . . . 72.11 110.969 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.5 t -77.04 -4.92 46.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.064 -0.516 . . . . 71.14 110.209 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -104.98 91.79 3.96 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.221 0.534 . . . . 74.43 110.105 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.7 t -108.68 109.56 20.77 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.993 -0.743 . . . . 36.21 108.993 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.576 ' HB2' ' HB ' ' A' ' 19' ' ' ILE . . . -77.05 100.7 5.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.11 0.481 . . . . 70.55 110.234 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -70.99 110.74 5.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.423 -0.808 . . . . 61.44 109.763 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.03 155.24 29.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.266 0.555 . . . . 70.43 111.724 -172.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.589 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 18.3 ptt180 -148.32 120.26 8.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.333 -0.848 . . . . 70.11 109.81 177.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 94.0 m-85 -133.67 -170.67 2.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.048 -0.523 . . . . 63.35 110.928 -176.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.8 p -94.71 149.7 36.85 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.134 -0.485 . . . . 64.54 110.569 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.448 ' HB3' ' HA3' ' A' ' 80' ' ' GLY . 30.3 Cg_exo -63.32 -15.92 51.27 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.756 2.304 . . . . 65.13 112.622 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -77.0 -14.46 59.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.697 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.1 ttt -67.08 125.98 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.115 0.483 . . . . 62.22 110.958 -178.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.1 p -107.15 168.12 9.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.689 -0.687 . . . . 60.35 109.988 176.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.895 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 51.1 t -70.1 -32.68 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.593 -0.521 . . . . 73.31 109.593 176.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.603 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . 33.3 tt0 -56.17 -44.74 79.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.821 -0.627 . . . . 60.01 110.148 174.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.48 -46.9 87.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.478 -0.783 . . . . 60.44 111.957 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.0 p -71.04 -39.89 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 120.907 -0.317 . . . . 73.25 111.666 -176.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.603 ' HE2' ' HA ' ' A' ' 40' ' ' GLU . 47.5 mtmt -59.11 -45.66 90.31 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.33 0.586 . . . . 75.22 110.247 178.451 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.4 -35.95 71.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.335 -0.848 . . . . 75.25 110.951 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -67.64 -33.14 74.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.121 -0.49 . . . . 72.3 111.01 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.802 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 94.9 mt -77.68 -28.28 51.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.167 0.508 . . . . 53.11 110.224 177.332 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -70.07 -45.99 65.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.756 -0.656 . . . . 75.4 109.97 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 ptmp? -77.14 -7.46 55.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 72.2 110.6 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.657 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -77.3 -56.03 4.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 51.21 110.51 177.383 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.1 t -151.04 -59.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.314 -0.403 . . . . 71.14 110.365 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.27 30.52 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.222 -0.99 . . . . 65.23 112.555 178.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.802 ' HB ' ' HB3' ' A' ' 46' ' ' LEU . 24.4 m -91.11 84.47 5.71 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.474 0.654 . . . . 74.52 110.059 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.2 m -77.49 -9.64 59.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.298 -0.865 . . . . 53.24 111.143 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.1 t 64.6 80.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.632 -0.713 . . . . 70.2 109.438 -174.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -108.13 -75.11 0.64 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.673 -0.694 . . . . 75.24 111.118 -175.014 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 t -97.6 7.0 47.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.235 0.54 . . . . 71.13 110.175 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.0 ttp -84.16 94.55 8.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.841 -0.618 . . . . 61.12 109.831 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.528 ' HB1' ' HB ' ' A' ' 93' ' ' ILE . . . -74.74 128.72 36.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.91 -0.586 . . . . 73.33 110.693 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.0 mt -114.88 104.64 12.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.104 -0.498 . . . . 55.24 110.437 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.81 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 50.4 mt-10 -79.49 128.18 33.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.361 -0.382 . . . . 62.13 110.13 176.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.6 tp -91.36 101.51 14.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.304 -0.407 . . . . 74.34 110.281 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.543 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 56.3 m-85 -99.63 138.57 36.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.038 -0.528 . . . . 74.35 110.302 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -88.31 48.88 1.7 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.591 0.71 . . . . 53.12 109.475 175.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.5 t70 69.92 65.56 0.23 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 114.551 -1.204 . . . . 75.23 111.147 -176.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.5 m 56.75 21.75 6.26 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.073 -0.967 . . . . 51.31 113.376 173.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.82 -65.4 1.14 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.321 -0.942 . . . . 44.21 111.571 177.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.2 p -141.65 173.72 11.24 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.616 -0.513 . . . . 74.13 109.616 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.46 ' HE2' ' OH ' ' A' ' 62' ' ' TYR . 73.2 mttt -96.28 90.58 5.51 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.778 -0.453 . . . . 73.31 109.778 174.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.3 m -84.89 41.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.589 0.709 . . . . 74.42 110.526 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.0 80.3 4.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.393 -0.821 . . . . 36.21 111.569 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.99 104.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.409 -0.814 . . . . 52.42 109.099 171.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 57.8 tp -119.48 96.82 5.36 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.608 -0.724 . . . . 65.3 110.905 -174.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.5 m -89.85 -50.31 6.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.997 -0.547 . . . . 71.12 110.713 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -102.24 100.72 10.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 72.53 110.115 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.895 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 11.0 p-10 -111.31 -16.3 13.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.012 0.434 . . . . 72.53 110.448 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.2 t -83.27 -18.43 39.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.549 0.69 . . . . 75.22 109.676 175.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.0 mmm-85 -88.76 143.98 32.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.243 -0.889 . . . . 73.41 109.757 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.97 115.61 3.05 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.405 2.07 . . . . 75.13 111.372 174.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.06 -36.0 74.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 72.32 111.328 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.448 ' HA3' ' HB3' ' A' ' 35' ' ' PRO . . . -67.44 -17.29 68.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.148 -0.549 . . . . 71.33 113.12 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -70.16 -31.93 69.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.142 0.496 . . . . 73.54 110.077 178.361 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -91.39 -52.57 4.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.732 -0.667 . . . . 74.02 109.772 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.3 m -155.29 129.17 4.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.782 -0.645 . . . . 54.23 110.072 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.82 112.89 1.2 Allowed 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.233 1.955 . . . . 75.5 111.215 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.664 ' HD2' HD22 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -74.44 90.82 2.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.906 0.86 . . . . 73.42 110.896 -177.816 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -107.9 129.05 55.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.571 -1.195 . . . . 73.41 110.67 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.66 -6.34 65.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.045 -0.597 . . . . 63.11 113.436 173.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -61.08 132.51 54.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.455 0.645 . . . . 74.01 111.085 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.773 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 73.5 mtt180 -108.19 118.61 37.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.205 -0.907 . . . . 72.43 110.505 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.54 102.44 13.52 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.064 -0.717 . . . . 74.14 109.064 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.81 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 9.3 t-80 -88.39 102.72 15.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.908 0.385 . . . . 74.01 110.312 -177.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.7 mt -77.49 111.23 14.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.52 -0.764 . . . . 62.31 110.299 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.528 ' HB ' ' HB1' ' A' ' 58' ' ' ALA . 45.8 mm -74.78 106.2 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.064 0.459 . . . . 73.31 110.119 177.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.428 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 15.1 m-20 -85.18 88.16 7.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.992 -0.549 . . . . 73.4 110.897 -177.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 pp -96.93 4.49 51.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.466 -0.788 . . . . 74.23 109.256 171.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 19.9 t70 -100.84 119.69 57.62 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 114.555 -1.202 . . . . 60.32 109.95 -179.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 15.0 Cg_exo . . . . . 0 C--O 1.249 1.031 0 C-N-CA 122.776 2.317 . . . . 54.42 111.942 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.436 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.8 mpt? . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.513 -0.551 . . . . 63.13 109.513 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.98 42.48 1.52 Allowed Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.446 -0.883 . . . . 53.45 112.959 -174.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -70.44 114.71 8.82 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.52 -0.548 . . . . 64.15 109.52 175.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -130.71 145.5 51.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.933 -0.395 . . . . 63.02 109.933 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -131.39 123.7 28.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.194 0.521 . . . . 72.1 111.3 -177.086 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -111.58 141.6 44.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.991 -0.549 . . . . 75.03 110.053 175.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -91.98 88.34 6.54 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.29 -0.414 . . . . 74.02 110.411 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -84.3 99.05 10.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.074 -1.084 . . . . 75.4 108.074 173.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -59.18 109.65 0.9 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.355 -0.839 . . . . 74.31 112.624 -169.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -168.35 162.66 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.701 -1.136 . . . . 74.32 108.994 174.211 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.31 -171.24 38.17 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.591 -0.814 . . . . 60.54 112.281 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -78.23 82.88 4.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.383 0.611 . . . . 72.42 110.254 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -130.01 93.41 3.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.322 -0.853 . . . . 71.53 109.166 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.697 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 68.4 m -159.69 145.33 15.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.669 -0.696 . . . . 52.35 110.42 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.57 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 26.3 m -92.3 135.66 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.379 -0.373 . . . . 72.33 110.513 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -78.01 83.64 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.973 0.416 . . . . 72.41 111.413 -174.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.549 HD13 ' HD2' ' A' ' 33' ' ' PHE . 93.4 mt -81.53 107.67 14.48 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.116 -0.493 . . . . 64.25 109.856 175.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -91.32 113.51 25.79 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.32 -0.4 . . . . 74.43 110.828 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.435 HD11 HD13 ' A' ' 90' ' ' LEU . 39.9 mm -74.62 113.4 13.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.596 -0.729 . . . . 52.42 109.739 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.6 m -118.92 113.73 21.49 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.864 0.364 . . . . 60.21 110.765 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.435 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 3.0 m-70 -84.08 162.32 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.196 -0.457 . . . . 73.13 110.338 176.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.38 -36.54 10.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.95 0.405 . . . . 44.21 110.092 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -71.83 -50.25 31.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.791 -0.64 . . . . 72.41 110.084 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 24' ' ' LEU . 5.7 mp -81.08 107.03 13.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.669 -0.696 . . . . 72.41 109.841 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -68.8 -33.61 74.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 72.15 111.522 -176.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.0 t -112.62 88.66 2.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.061 0.457 . . . . 75.4 109.896 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -134.63 87.05 2.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.099 -0.5 . . . . 74.2 109.989 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 m -93.21 99.25 11.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.739 -0.664 . . . . 64.23 110.112 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.92 106.0 7.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.147 -0.479 . . . . 73.23 111.16 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -87.83 116.18 25.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.83 -0.623 . . . . 71.44 109.419 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.6 78.65 1.39 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.491 -0.559 . . . . 71.1 109.491 176.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.57 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 22.0 ptt-85 -81.97 108.6 15.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.477 0.656 . . . . 71.11 110.805 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.549 ' HD2' HD13 ' A' ' 17' ' ' LEU . 96.7 m-85 -97.4 155.84 16.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.275 -0.875 . . . . 75.41 109.963 177.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.427 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 15.9 m -62.46 131.84 94.08 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.048 -0.524 . . . . 61.02 110.417 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.697 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 1.5 Cg_endo -76.87 63.68 7.55 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.633 2.222 . . . . 42.4 111.802 -176.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.574 ' HA ' ' H ' ' A' ' 80' ' ' GLY . 7.4 tt0 -160.49 18.58 0.14 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.676 -0.693 . . . . 74.25 109.306 173.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.4 ttt -101.14 146.83 26.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.205 -0.907 . . . . 70.55 109.473 -176.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.7 m -87.33 147.48 25.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.779 0.323 . . . . 74.5 110.737 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 42' ' ' VAL . 22.8 t -64.74 -35.59 75.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 72.34 110.959 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.8 -28.71 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.33 111.463 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.65 86.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 53.43 111.409 -176.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.435 HG13 ' O ' ' A' ' 39' ' ' VAL . 13.9 p -72.33 -30.41 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.99 0.424 . . . . 73.04 109.988 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HE3' HG13 ' A' ' 39' ' ' VAL . 97.0 mttt -65.11 -32.81 74.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 74.32 110.814 176.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.724 ' HG2' ' HE2' ' A' ' 48' ' ' LYS . 36.7 tt0 -58.65 -43.51 89.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.856 -0.611 . . . . 73.2 111.305 -176.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -74.87 -31.29 61.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.71 0.29 . . . . 75.33 110.683 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.7 -35.14 70.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.132 0.491 . . . . 72.13 110.074 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -68.94 -48.82 62.28 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.608 -0.724 . . . . 73.43 110.461 176.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.724 ' HE2' ' HG2' ' A' ' 44' ' ' GLU . 57.4 mtmt -77.07 2.58 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.504 -0.316 . . . . 74.34 111.344 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -73.4 -57.41 4.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.961 0.41 . . . . 70.43 110.462 176.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.5 p -109.08 -7.76 15.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.253 -0.43 . . . . 72.54 111.038 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.85 26.91 57.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 44.14 111.378 -177.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.0 m -130.81 139.94 50.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.853 -0.425 . . . . 62.25 109.853 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.9 m -63.96 137.11 57.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.263 -0.273 . . . . 72.1 110.263 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.6 t -72.51 86.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.206 0.527 . . . . 72.33 110.414 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -127.74 -51.18 1.36 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.741 -0.663 . . . . 54.14 110.549 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.466 ' HB3' ' HG ' ' A' ' 95' ' ' LEU . 12.2 m -59.42 -49.59 77.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.251 -0.432 . . . . 64.13 110.813 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.5 ttm -77.84 100.13 6.21 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.532 -0.544 . . . . 64.54 109.532 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.23 116.59 17.07 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.027 -0.533 . . . . 73.3 111.335 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 78.1 mt -94.33 92.73 7.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.828 -0.623 . . . . 74.14 109.486 176.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.526 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 45.7 mt-10 -82.51 132.51 35.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.325 -0.398 . . . . 65.41 111.096 -176.669 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.5 tp -95.27 111.02 22.94 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.32 -0.622 . . . . 74.24 109.32 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.536 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 8.1 m-30 -103.99 127.52 51.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.781 0.324 . . . . 74.11 111.066 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.828 ' HB3' ' HB2' ' A' ' 67' ' ' SER . 11.6 t70 -83.94 103.83 13.52 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.26 -1.015 . . . . 74.35 108.26 169.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 28.4 t70 71.97 -64.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 124.222 0.952 . . . . 62.11 110.427 -175.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.3 m -179.63 -46.26 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.532 0.733 . . . . 71.1 111.225 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.63 -19.47 68.28 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.902 -0.666 . . . . 55.5 114.011 -172.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.828 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 17.8 m -104.59 106.61 17.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 117.075 0.437 . . . . 75.13 111.379 -177.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -80.36 88.42 5.57 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.069 -0.715 . . . . 61.01 109.069 175.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.7 m -85.77 100.28 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.877 0.846 . . . . 75.32 111.456 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.22 97.33 8.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.301 -0.863 . . . . 71.11 110.567 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 p -139.05 118.02 13.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.608 -0.724 . . . . 73.14 109.939 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.1 tp -124.31 14.05 8.93 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.8 -0.36 . . . . 74.31 111.257 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.0 m -70.09 -17.51 63.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.035 0.445 . . . . 73.54 111.158 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HA ' ' HG3' ' A' ' 77' ' ' ARG . 5.2 m-20 -108.68 20.4 18.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 55.55 111.148 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.71 -43.62 96.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.039 0.447 . . . . 54.51 110.489 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.5 m -85.32 18.82 2.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.623 -0.717 . . . . 72.34 110.772 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.534 ' HE ' ' HA ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -119.38 151.52 51.43 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-O 120.685 0.278 . . . . 73.3 111.229 -173.302 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -69.04 129.06 17.66 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.02 1.814 . . . . 71.22 110.481 169.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.686 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 20.8 tp -56.49 -26.51 54.48 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.968 0.359 . . . . 75.32 111.968 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.574 ' H ' ' HA ' ' A' ' 36' ' ' GLN . . . -69.58 -29.16 71.57 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.826 -0.702 . . . . 73.11 112.459 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -72.9 -35.01 67.0 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.631 -0.507 . . . . 74.34 109.631 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -72.7 -34.77 67.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.642 -0.708 . . . . 71.45 110.966 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 t 65.3 94.15 0.05 OUTLIER Pre-proline 0 C--N 1.332 -0.157 0 CA-C-N 115.905 -0.589 . . . . 74.22 109.942 -175.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . 0.686 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 61.4 Cg_endo -90.58 -163.81 0.14 Allowed 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.064 2.509 . . . . 73.33 112.516 -177.038 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -103.07 -172.01 2.04 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.626 -0.509 . . . . 72.35 109.626 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -54.55 -42.65 71.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.104 0.478 . . . . 72.14 110.683 176.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.02 176.19 40.81 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 115.694 -0.685 . . . . 65.22 112.0 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -135.32 155.55 50.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.802 0.334 . . . . 74.04 110.305 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.536 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 17.0 mmt180 -100.48 106.34 17.88 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.893 -0.594 . . . . 75.32 110.106 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.435 HD13 HD11 ' A' ' 19' ' ' ILE . 97.8 mt -90.2 97.96 11.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.99 -0.55 . . . . 72.31 110.132 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 27.2 t-80 -88.0 97.15 10.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.828 -0.624 . . . . 73.34 109.544 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.7 mt -82.12 113.8 21.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.675 -0.693 . . . . 75.03 110.789 -177.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.1 mm -74.94 104.4 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.377 -0.601 . . . . 72.21 109.377 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.435 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 2.5 m-20 -66.93 113.1 4.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.012 -0.54 . . . . 74.4 111.413 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.496 ' O ' ' HD3' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -84.79 9.94 12.78 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.706 -0.85 . . . . 73.43 108.706 174.309 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -105.89 91.12 4.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 114.934 -1.03 . . . . 70.22 108.66 174.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 95' ' ' LEU . 2.6 Cg_endo . . . . . 0 C--O 1.252 1.19 0 C-N-CA 123.428 2.752 . . . . 70.44 112.377 -173.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.801 0.334 . . . . 74.12 110.209 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.27 -161.9 27.97 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.831 -0.7 . . . . 73.22 111.397 -177.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -139.08 126.18 21.22 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 122.617 -0.343 . . . . 72.01 110.543 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -72.62 110.52 7.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.102 -0.499 . . . . 73.31 110.008 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -68.4 125.14 25.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.827 -0.435 . . . . 61.12 109.827 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -158.62 -170.78 3.19 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.319 -0.623 . . . . 75.14 109.319 177.651 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -81.66 118.22 22.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.103 0.478 . . . . 75.41 111.093 -177.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -72.75 -42.45 64.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.428 -0.806 . . . . 74.15 109.885 177.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 p -165.14 132.06 2.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.719 -0.673 . . . . 74.4 111.064 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.23 -82.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.569 -0.53 . . . . 74.33 109.569 174.386 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 46.79 68.01 1.25 Allowed Glycine 0 C--N 1.337 0.603 0 O-C-N 123.564 0.54 . . . . 73.23 113.194 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.18 77.74 1.28 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.594 0.197 . . . . 71.01 111.014 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 47.48 79.56 0.06 Allowed 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.875 0.734 . . . . 63.3 111.229 -177.01 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.9 p -66.31 98.63 0.48 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.581 -0.736 . . . . 73.32 111.712 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.506 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 30.4 m -75.58 137.94 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.333 -0.617 . . . . 72.03 109.333 172.381 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -98.12 96.91 8.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.09 0.471 . . . . 71.24 111.089 -176.614 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -94.42 112.76 24.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.54 -0.754 . . . . 74.05 109.305 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -86.04 117.54 24.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.124 0.488 . . . . 71.41 110.255 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 mm -94.6 129.2 45.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.458 -0.792 . . . . 73.11 110.39 -176.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -130.52 124.05 31.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.313 -0.403 . . . . 50.11 110.223 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.13 138.41 34.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 74.32 110.522 -178.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.63 -22.48 66.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.276 -0.42 . . . . 62.51 111.439 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -77.99 -26.44 48.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 53.23 111.186 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.3 mt -133.71 106.48 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.557 -0.292 . . . . 75.14 110.866 -173.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -73.98 -13.27 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 54.13 111.027 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -87.82 -7.48 57.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.023 0.44 . . . . 72.53 110.205 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -84.59 93.2 8.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.106 0.479 . . . . 73.02 111.014 -174.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 m -123.06 89.34 3.09 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.971 -0.751 . . . . 63.12 108.971 172.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.23 146.42 26.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.748 -0.66 . . . . 63.13 111.089 -174.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -102.8 117.34 34.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.077 -0.511 . . . . 64.32 109.999 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.16 132.65 56.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.224 -0.443 . . . . 61.43 110.356 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.506 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 18.3 ptt180 -112.63 147.3 37.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.887 0.375 . . . . 72.43 111.017 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.436 ' O ' HG21 ' A' ' 15' ' ' VAL . 15.4 t80 -160.75 -179.41 7.57 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.983 -0.747 . . . . 74.14 108.983 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 22.7 p -85.57 139.91 35.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 120.525 0.202 . . . . 63.21 110.818 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 16.6 Cg_exo -67.52 -17.51 48.62 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.306 2.671 . . . . 43.52 112.84 -176.344 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -82.36 17.4 1.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.013 0.435 . . . . 73.54 110.914 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.4 ttt -74.93 143.86 43.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.95 -0.568 . . . . 73.33 110.688 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 m -118.89 149.04 42.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.056 -0.52 . . . . 60.41 110.001 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.713 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 35.1 t -66.13 -31.4 53.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.378 -0.374 . . . . 65.13 110.355 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.558 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 36.1 tt0 -54.34 -45.69 72.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.056 0.455 . . . . 70.21 110.004 174.246 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.5 95.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.368 -0.833 . . . . 74.03 111.806 -175.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.411 HG11 ' O ' ' A' ' 39' ' ' VAL . 12.4 p -71.75 -31.81 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 120.715 -0.394 . . . . 63.32 110.867 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.606 ' HZ2' ' HB3' ' A' ' 43' ' ' LYS . 9.1 mtpm? -70.27 -41.5 73.35 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.165 -0.309 . . . . 74.22 110.165 177.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.558 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 56.8 mt-10 -59.76 -41.32 90.77 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.307 0.575 . . . . 74.14 109.581 174.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -62.83 -50.97 68.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.071 -0.968 . . . . 71.05 110.518 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.86 -40.76 97.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 75.15 111.153 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . 0.717 ' HD1' HG21 ' A' ' 52' ' ' THR . 14.9 t90 -56.78 -46.13 81.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 75.03 111.231 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.29 -29.83 48.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.506 -0.316 . . . . 63.45 111.268 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -75.94 -73.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.586 -0.279 . . . . 71.54 111.312 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 80.2 m -152.62 -58.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 73.44 110.968 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.72 81.44 0.75 Allowed Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.949 -0.569 . . . . 43.43 113.261 -175.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.717 HG21 ' HD1' ' A' ' 47' ' ' TRP . 26.1 m -71.75 -41.84 67.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.143 0.497 . . . . 64.45 109.811 176.069 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 p -123.39 108.65 12.95 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.697 -0.683 . . . . 64.23 110.634 177.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 m -81.03 97.09 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.501 0.667 . . . . 71.34 110.795 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -108.36 -58.31 2.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.466 -0.788 . . . . 73.21 110.838 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.531 ' CB ' ' HB2' ' A' ' 96' ' ' ASP . 14.4 m -88.22 5.72 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.002 -0.544 . . . . 64.4 111.527 -172.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.6 ttp -133.15 103.86 6.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.001 -0.545 . . . . 73.12 109.78 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.53 ' HB1' ' HB ' ' A' ' 93' ' ' ILE . . . -99.24 131.89 44.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.024 -0.535 . . . . 73.54 110.742 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 77.4 mt -95.62 95.95 8.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.998 -0.546 . . . . 74.21 110.265 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -91.34 114.84 27.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.274 -0.421 . . . . 72.34 110.43 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.52 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 68.3 tp -100.01 111.72 24.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.643 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.564 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 0.7 OUTLIER -96.51 152.69 18.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.02 -0.537 . . . . 74.11 109.713 177.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.97 -179.88 4.56 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.162 -0.681 . . . . 74.24 109.162 173.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -68.07 -26.97 66.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 73.34 111.613 -176.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -71.79 -36.67 70.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.437 -0.347 . . . . 72.53 110.357 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.65 25.25 2.91 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.792 -0.718 . . . . 64.33 112.296 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -114.17 150.68 33.84 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.277 -0.268 . . . . 64.53 110.277 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 118.11 22.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.406 0.622 . . . . 73.05 110.469 176.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -110.09 9.9 8.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.672 -0.695 . . . . 71.12 110.85 -177.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.52 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -73.45 103.01 3.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.707 -0.679 . . . . 72.11 111.246 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.93 118.86 14.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.08 -0.509 . . . . 75.03 110.306 176.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.85 75.36 10.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.094 0.473 . . . . 62.34 110.858 -176.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.6 m -118.2 -44.71 2.67 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.853 -0.612 . . . . 72.13 109.658 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.425 ' HB3' ' CG ' ' A' ' 77' ' ' ARG . 5.0 m-20 -115.24 83.34 1.9 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 65.53 109.587 173.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.713 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 3.8 p30 -96.79 -17.28 20.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.734 -0.666 . . . . 62.22 110.848 -176.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.0 m -97.66 19.85 12.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.14 -0.482 . . . . 71.23 110.835 -174.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.425 ' CG ' ' HB3' ' A' ' 74' ' ' ASP . 15.6 mmm-85 -114.09 152.79 46.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 109.703 -0.48 . . . . 72.42 109.703 -178.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.37 101.47 1.26 Allowed 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.113 1.875 . . . . 63.54 111.03 171.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.72 -31.82 73.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 72.1 111.594 -175.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.92 10.97 23.25 Favored Glycine 0 CA--C 1.517 0.192 0 C-N-CA 121.007 -0.616 . . . . 45.15 112.883 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -91.9 -22.21 20.18 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.574 -0.528 . . . . 73.0 109.574 175.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -71.72 -50.59 28.86 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.091 -0.707 . . . . 74.54 109.091 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.0 p -154.61 152.27 25.52 Favored Pre-proline 0 N--CA 1.446 -0.639 0 CA-C-N 115.028 -0.987 . . . . 75.14 108.649 174.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.2 -63.29 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.352 2.035 . . . . 75.13 111.492 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.473 ' HA ' ' CE2' ' A' ' 88' ' ' PHE . 25.1 p90 -175.16 98.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.328 0.585 . . . . 74.32 110.584 174.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.43 -60.56 3.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.758 -0.655 . . . . 62.11 110.401 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.48 53.97 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.668 -0.973 . . . . 64.32 110.668 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.473 ' CE2' ' HA ' ' A' ' 85' ' ' PHE . 78.6 m-85 -68.47 101.31 1.22 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.103 0.478 . . . . 75.11 110.7 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.564 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 11.4 mmt180 -101.99 115.65 30.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.689 -0.687 . . . . 63.22 110.257 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.6 mt -91.87 95.8 10.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.417 0.627 . . . . 65.24 110.749 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -86.25 91.64 8.53 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.616 -0.883 . . . . 72.32 108.616 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.3 mm -71.57 105.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.673 -0.694 . . . . 74.41 110.55 -174.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . 0.53 ' HB ' ' HB1' ' A' ' 58' ' ' ALA . 39.6 mm -80.68 76.17 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 121.614 0.721 . . . . 70.32 109.446 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -88.78 96.24 10.6 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.805 -1.088 . . . . 52.45 108.742 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -99.65 -21.27 15.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.526 -0.761 . . . . 73.44 111.009 -172.001 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.531 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 7.5 t70 -64.62 112.19 7.33 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 72.41 111.245 -172.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 2.5 Cg_endo . . . . . 0 C--O 1.248 1.018 0 C-N-CA 122.943 2.428 . . . . 65.34 111.091 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 109.882 -0.414 . . . . 74.52 109.882 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.8 52.62 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.535 -0.841 . . . . 75.21 112.107 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -91.55 115.72 28.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.507 0.194 . . . . 74.43 111.308 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -102.18 100.23 10.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.684 0.754 . . . . 74.43 109.106 170.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -105.49 14.94 27.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.31 -0.859 . . . . 72.25 110.262 -173.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -83.17 126.45 32.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.686 -0.688 . . . . 74.22 110.216 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -141.25 142.19 33.94 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.461 -0.57 . . . . 75.41 109.461 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -93.71 -66.48 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.362 -0.236 . . . . 72.24 110.362 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 m 67.99 126.13 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 O-C-N 124.031 0.832 . . . . 71.42 111.225 -177.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -78.92 71.4 5.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.253 0.549 . . . . 74.52 109.966 177.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.84 141.48 15.41 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.395 -0.82 . . . . 45.01 111.393 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -91.04 -40.41 11.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.163 0.506 . . . . 74.44 110.131 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -96.38 104.83 16.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.657 -0.701 . . . . 53.44 110.587 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 p -166.23 120.47 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.082 -0.508 . . . . 73.02 110.833 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.3 m -119.04 144.34 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.347 -0.388 . . . . 63.02 110.636 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.717 ' H ' ' HB2' ' A' ' 86' ' ' ASP . 37.7 m80 -89.05 91.84 8.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.098 -0.501 . . . . 72.32 110.356 178.388 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.482 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 75.8 mt -78.14 93.37 4.54 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.308 -0.627 . . . . 64.34 109.308 174.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.682 ' HB2' ' HA ' ' A' ' 89' ' ' ARG . 74.8 m-70 -74.28 82.48 1.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.92 -0.582 . . . . 75.44 111.017 -176.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.514 ' HB ' ' HB1' ' A' ' 29' ' ' ALA . 70.8 mt -62.32 111.14 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.66 -0.496 . . . . 71.54 109.66 175.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.5 m -122.73 142.27 50.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.064 -0.516 . . . . 74.42 110.309 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.49 167.03 11.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.457 -0.338 . . . . 74.54 110.759 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.91 -45.12 14.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.1 -0.5 . . . . 61.45 110.377 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -72.55 -57.46 4.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.868 -0.605 . . . . 73.04 110.464 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 99.0 mt -75.02 102.39 4.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.921 -0.581 . . . . 71.22 110.479 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -63.86 -53.11 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.942 -0.572 . . . . 72.15 110.775 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -89.91 87.73 7.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.157 0.503 . . . . 75.14 109.681 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -127.29 92.1 3.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.748 -0.66 . . . . 74.22 110.174 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 m -85.41 94.15 8.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.631 -0.713 . . . . 71.53 110.311 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.514 ' HB1' ' HB ' ' A' ' 19' ' ' ILE . . . -124.96 26.34 7.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.78 -0.645 . . . . 54.34 110.151 177.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . 0.482 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 9.1 p-10 -72.99 118.89 16.5 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.826 0.822 . . . . 74.31 110.582 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.548 ' HB2' ' CE2' ' A' ' 33' ' ' PHE . . . -115.2 146.2 41.65 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.342 -0.844 . . . . 75.45 110.191 177.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -78.37 98.97 6.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.403 0.621 . . . . 55.33 110.782 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.548 ' CE2' ' HB2' ' A' ' 31' ' ' ALA . 75.1 m-85 -107.57 154.41 21.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.719 -0.673 . . . . 73.21 110.412 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' SER . . . . . 0.426 ' C ' ' H ' ' A' ' 36' ' ' GLN . 31.8 m -78.94 143.9 62.74 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 108.905 -0.776 . . . . 72.42 108.905 170.067 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 10.7 Cg_exo -71.89 30.57 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.18 2.587 . . . . 61.55 113.011 -175.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.426 ' H ' ' C ' ' A' ' 34' ' ' SER . 46.9 mt-30 -115.28 20.54 14.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.04 0.448 . . . . 63.32 110.796 -177.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 56.9 ttp -120.77 106.55 11.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.771 -0.65 . . . . 74.13 109.775 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -78.73 159.0 28.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.057 0.456 . . . . 65.35 111.549 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.7 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 57.8 t -64.88 -28.0 43.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.828 -0.624 . . . . 64.02 110.749 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -54.65 -31.06 56.92 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.229 0.538 . . . . 60.42 110.907 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.5 -40.78 22.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 74.42 111.545 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . 0.432 HG13 ' HA ' ' A' ' 39' ' ' VAL . 10.4 p -69.28 -32.58 54.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 120.868 -0.333 . . . . 55.34 110.898 -176.202 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -62.03 -44.5 96.58 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.879 0.371 . . . . 75.14 110.03 175.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -64.69 -39.63 93.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.63 -0.714 . . . . 62.31 110.256 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -67.85 -33.25 74.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.384 -0.826 . . . . 74.54 111.015 -176.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.3 mt -79.74 -35.98 38.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.206 0.527 . . . . 71.12 110.336 175.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -63.69 -33.53 75.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.443 -0.799 . . . . 74.21 110.663 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -94.46 5.74 50.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.245 -0.434 . . . . 75.33 111.124 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' HZ1' ' HB2' ' A' ' 49' ' ' LYS . 3.3 ttmp? -100.67 -60.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.893 0.378 . . . . 74.41 110.397 177.26 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.5 m -99.12 -11.46 21.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.356 -0.384 . . . . 71.21 111.103 -176.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.06 35.54 90.73 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.749 -0.739 . . . . 52.24 111.82 -177.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.0 m -107.85 133.59 52.0 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.27 -0.27 . . . . 71.35 110.27 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.3 m -68.3 123.99 22.26 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.927 -0.397 . . . . 63.2 109.927 176.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.36 2.93 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 112.348 0.499 . . . . 73.52 112.348 -172.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -71.37 -15.37 62.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.242 0.544 . . . . 75.22 110.623 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.3 m -95.74 0.65 52.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.22 -0.446 . . . . 54.44 110.65 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.7 ttp -142.1 110.77 6.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 55.24 111.024 -174.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.04 148.78 28.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.376 -0.375 . . . . 64.21 110.027 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.2 mt -97.72 109.57 22.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.44 0.638 . . . . 74.22 110.761 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.685 ' HB3' ' HB3' ' A' ' 91' ' ' HIS . 2.4 tm-20 -90.03 153.61 20.44 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.849 -1.069 . . . . 74.12 108.779 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.526 HD12 ' HB3' ' A' ' 88' ' ' PHE . 21.3 tp -132.35 104.64 6.83 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.185 -0.606 . . . . 65.3 112.068 -171.025 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.562 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 56.5 m-85 -87.04 146.47 26.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.62 -0.718 . . . . 74.42 109.126 171.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.461 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -115.89 153.5 31.41 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.529 -0.545 . . . . 75.31 109.529 174.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -90.97 23.38 3.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.643 0.609 . . . . 73.43 112.643 -174.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.0 t -122.87 -54.89 1.82 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.933 0.397 . . . . 70.44 110.118 175.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.71 -86.33 1.91 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 121.012 -0.614 . . . . 62.34 112.303 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.8 m -160.7 -76.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.944 0.402 . . . . 75.32 111.379 -177.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.408 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 4.4 mtpm? -138.9 102.42 4.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 54.44 109.854 -170.635 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.461 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 2.7 m -127.79 101.45 7.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.284 0.564 . . . . 75.05 110.817 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.75 110.18 18.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.884 -0.598 . . . . 72.42 110.53 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.49 ' HB ' ' OD1' ' A' ' 74' ' ' ASP . 46.9 t -68.27 -59.78 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.628 -0.508 . . . . 60.25 109.628 177.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp 71.51 5.54 5.44 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.626 -0.716 . . . . 63.1 111.253 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.0 t -103.47 -6.68 21.58 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.231 -1.025 . . . . 73.41 108.231 172.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.49 ' OD1' ' HB ' ' A' ' 71' ' ' VAL . 9.0 p-10 -93.62 -15.82 24.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.449 -1.251 . . . . 72.25 110.525 -178.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.7 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 9.2 p-10 -61.57 -33.46 73.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.823 -0.626 . . . . 72.43 111.308 -175.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 p -105.5 10.51 33.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.681 -0.691 . . . . 65.24 111.138 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -118.31 159.77 42.18 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.431 -0.581 . . . . 61.24 109.431 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.04 110.38 0.67 Allowed 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 121.896 1.73 . . . . 74.13 110.769 172.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.6 tp -58.59 -27.12 64.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.385 -0.371 . . . . 75.53 111.642 -172.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.93 -10.43 83.85 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 121.185 -0.531 . . . . 73.41 112.654 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -78.31 -42.52 30.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.535 -0.543 . . . . 75.05 109.535 176.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -77.47 -41.66 38.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.827 -0.624 . . . . 72.15 110.233 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.1 t 67.79 91.37 0.07 OUTLIER Pre-proline 0 C--O 1.234 0.259 0 CA-C-N 115.807 -0.633 . . . . 53.45 111.004 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -90.33 177.09 2.44 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.14 2.56 . . . . 61.31 112.627 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.522 ' H ' ' HE2' ' A' ' 88' ' ' PHE . 59.3 m-85 -95.58 175.96 6.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.926 -0.579 . . . . 74.11 109.724 177.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.717 ' HB2' ' H ' ' A' ' 16' ' ' HIS . 3.7 p-10 -95.38 -9.26 33.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.795 0.331 . . . . 61.15 110.69 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.03 64.27 2.72 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.799 -0.715 . . . . 45.22 112.248 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.526 ' HB3' HD12 ' A' ' 61' ' ' LEU . 49.7 m-85 -135.1 141.46 46.03 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.046 0.451 . . . . 74.22 110.862 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ARG . . . . . 0.682 ' HA ' ' HB2' ' A' ' 18' ' ' HIS . 80.2 mtt85 -110.16 117.87 34.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.032 -0.531 . . . . 74.43 110.888 178.634 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.43 90.81 4.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.187 -0.672 . . . . 71.34 109.187 174.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.685 ' HB3' ' HB3' ' A' ' 60' ' ' GLU . 19.1 t-160 -86.03 97.83 10.5 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.866 -0.607 . . . . 54.41 109.833 -175.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.42 114.13 3.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.547 -0.752 . . . . 74.41 110.488 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.68 94.73 4.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.989 0.423 . . . . 73.52 110.7 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -94.48 107.84 19.8 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.13 -0.693 . . . . 74.32 109.13 171.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.06 -74.48 0.13 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.897 -0.592 . . . . 72.0 110.223 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 3.5 p-10 -128.05 124.0 22.92 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 116.316 -0.402 . . . . 72.41 110.128 177.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 3.0 Cg_exo . . . . . 0 C--O 1.249 1.062 0 C-N-CA 123.051 2.5 . . . . 73.52 112.006 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t0 . . . . . 0 C--O 1.235 0.292 0 CA-C-O 121.015 0.436 . . . . 74.329999999999998 110.827 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.618 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 70.5 m -153.88 141.74 20.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.648 -0.705 . . . . 64.150000000000006 109.989 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.498 HG23 ' HG ' ' A' ' 17' ' ' LEU . 20.0 m -93.8 162.19 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.438 -0.346 . . . . 62.109999999999999 110.63 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -103.68 76.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.927 0.394 . . . . 75.329999999999998 110.238 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.498 ' HG ' HG23 ' A' ' 15' ' ' VAL . 91.8 mt -71.56 117.43 13.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.111 -0.495 . . . . 71.5 110.757 -177.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -81.23 93.75 6.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 63.25 110.299 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.457 HD11 ' HE2' ' A' ' 33' ' ' PHE . 65.1 mt -84.35 110.46 18.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.727 -0.67 . . . . 44.439999999999998 110.487 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.1 p -114.46 117.44 31.0 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.173 0.511 . . . . 71.209999999999994 110.978 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -84.84 120.97 27.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.679 -0.691 . . . . 75.329999999999998 109.348 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.72 -14.04 28.43 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.318 0.858 . . . . 50.049999999999997 113.318 -172.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -70.61 -20.54 62.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.327 . . . . 75.129999999999995 110.355 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mp -113.12 152.22 29.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.932 -0.576 . . . . 71.439999999999998 109.932 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -66.71 -52.38 45.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.226 0.536 . . . . 72.219999999999999 110.342 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.0 t -135.46 100.48 4.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.01 -0.541 . . . . 75.239999999999995 110.166 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -102.56 91.08 4.06 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.984 -0.747 . . . . 73.129999999999995 108.984 176.288 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.9 p -82.04 85.73 6.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.202 0.525 . . . . 74.450000000000003 111.435 -175.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.48 85.19 2.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.078 -0.51 . . . . 43.240000000000002 110.754 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.491 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 13.7 p-10 -91.28 87.76 6.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.177 0.989 . . . . 75.510000000000005 109.695 175.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.75 134.55 33.57 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.881 -1.054 . . . . 72.129999999999995 110.928 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 32' ' ' ARG . 6.2 ptm180 -71.85 115.72 11.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.618 -0.719 . . . . 65.239999999999995 110.694 175.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.457 ' HE2' HD11 ' A' ' 19' ' ' ILE . 63.4 m-85 -124.68 136.05 53.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.562 -0.745 . . . . 71.25 109.884 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -65.39 121.98 77.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.265 -0.642 . . . . 63.020000000000003 109.265 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.618 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 57.0 Cg_endo -71.74 13.13 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.02 2.48 . . . . 70.109999999999999 113.646 -173.639 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -93.42 1.61 56.8 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.543 -0.539 . . . . 61.210000000000001 109.543 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.6 ttm -87.32 130.11 34.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.571 -0.74 . . . . 73.230000000000004 110.315 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.6 p -92.11 162.81 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.007 0.432 . . . . 61.539999999999999 111.065 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.464 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 47.6 t -66.29 -34.56 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.564 -0.532 . . . . 75.230000000000004 109.564 175.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.77 -43.29 85.41 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.408 -0.814 . . . . 73.239999999999995 111.131 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.26 -48.55 72.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.967 -0.561 . . . . 75.430000000000007 111.868 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.6 p -67.01 -29.01 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.618 -0.265 . . . . 62.200000000000003 111.362 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 39' ' ' VAL . 34.2 mmtp -65.42 -60.29 3.12 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.774 0.321 . . . . 51.140000000000001 111.044 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 40.0 mt-10 -67.71 -24.58 65.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.389 . . . . 74.209999999999994 111.887 -176.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -60.5 -43.81 96.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.895 0.378 . . . . 74.430000000000007 110.587 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.3 mt -82.47 -30.77 29.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.2 -0.455 . . . . 75.430000000000007 110.217 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.605 ' HB3' ' HA ' ' A' ' 44' ' ' GLU . 59.2 t90 -60.12 -49.63 76.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.656 -0.702 . . . . 63.240000000000002 111.088 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 22.1 ptmt -69.35 -25.39 64.17 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.076 0.465 . . . . 60.350000000000001 110.914 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -81.03 -50.58 9.49 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.925 -0.579 . . . . 61.299999999999997 111.225 -174.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.4 m -93.23 -32.86 14.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.548 -0.296 . . . . 73.430000000000007 111.642 -176.075 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.15 53.64 8.93 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.65 -0.786 . . . . 61.439999999999998 112.073 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -146.01 159.37 43.35 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.398 -0.223 . . . . 61.130000000000003 110.398 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.0 p -89.61 119.06 29.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.198 0.523 . . . . 71.420000000000002 110.73 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.0 m -89.89 42.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.361 0.6 . . . . 74.140000000000001 111.171 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -82.28 -35.06 28.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.946 -0.57 . . . . 72.25 111.157 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -83.49 5.07 25.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.015 0.436 . . . . 72.219999999999999 111.611 -177.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 42.7 ttm -118.27 94.34 4.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.031 -0.532 . . . . 61.210000000000001 109.66 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.578 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -91.72 154.65 18.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.125 -0.488 . . . . 72.409999999999997 111.167 -175.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.65 96.63 5.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.144 -0.48 . . . . 72.439999999999998 110.761 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . 13.3 mm-40 -82.58 91.41 6.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.957 -0.565 . . . . 73.510000000000005 109.947 176.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.573 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 56.8 tp -82.34 101.64 10.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.346 -0.843 . . . . 54.350000000000001 110.307 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 60' ' ' GLU . 49.1 m-85 -98.52 159.35 15.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.077 0.465 . . . . 73.5 111.081 -178.594 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -104.24 -164.57 1.07 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.619 -0.718 . . . . 44.009999999999998 109.435 175.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -79.04 -27.48 43.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.723 0.297 . . . . 64.450000000000003 110.722 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.9 t -71.14 -45.66 63.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.992 0.425 . . . . 74.129999999999995 110.065 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.23 33.46 0.72 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.453 -0.88 . . . . 72.319999999999993 112.299 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 m -124.51 157.92 34.16 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.826 -0.435 . . . . 70.430000000000007 109.826 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -85.17 111.15 19.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.448 0.642 . . . . 65.540000000000006 110.065 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.2 m -86.43 -6.11 10.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.668 -0.696 . . . . 55.420000000000002 111.001 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.573 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -70.27 110.38 5.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.035 -0.53 . . . . 74.420000000000002 109.79 174.66 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.511 HG13 ' H ' ' A' ' 73' ' ' SER . 12.3 p -111.26 0.66 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.496 0.665 . . . . 65.209999999999994 109.926 -176.543 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 73.01 -4.34 2.2 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.141 -0.936 . . . . 54.420000000000002 111.531 176.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.511 ' H ' HG13 ' A' ' 71' ' ' VAL . 16.0 m -85.68 -18.03 34.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.62 -0.882 . . . . 75.510000000000005 108.62 171.136 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -76.61 -3.8 39.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.254 -1.339 . . . . 64.530000000000001 110.897 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -60.62 -25.95 66.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.674 -0.694 . . . . 63.149999999999999 111.208 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.8 p -129.64 22.71 5.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 74.230000000000004 111.162 -174.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -122.97 135.9 26.32 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.379 -0.373 . . . . 74.319999999999993 110.311 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.477 ' HG2' ' HB3' ' A' ' 81' ' ' PHE . 15.2 Cg_endo -59.66 116.66 3.45 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.344 2.029 . . . . 62.439999999999998 111.398 174.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.9 mt -55.2 -40.25 70.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.055 -0.52 . . . . 72.310000000000002 111.558 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.486 ' H ' ' HB2' ' A' ' 35' ' ' PRO . . . -78.09 0.59 72.74 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.029 -0.605 . . . . 73.310000000000002 112.866 -176.071 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.477 ' HB3' ' HG2' ' A' ' 78' ' ' PRO . 69.9 t80 -108.4 -15.51 14.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.152 0.501 . . . . 72.219999999999999 109.754 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -92.68 -54.78 3.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.879 -0.601 . . . . 73.430000000000007 111.06 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.469 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 46.7 m -136.15 131.38 18.71 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.778 0.323 . . . . 71.430000000000007 111.446 -177.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 83' ' ' SER . 4.2 Cg_exo -80.53 95.04 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.205 2.603 . . . . 35.450000000000003 112.349 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -137.78 137.38 38.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.968 -0.56 . . . . 74.019999999999996 109.871 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -62.77 -39.61 94.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.106 0.479 . . . . 70.099999999999994 110.858 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -162.4 129.5 2.08 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.746 -0.74 . . . . 54.299999999999997 112.025 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.533 ' HB3' HD11 ' A' ' 61' ' ' LEU . 97.3 m-85 -87.46 161.61 17.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.754 0.311 . . . . 71.010000000000005 110.613 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 -94.37 101.82 13.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.085 -0.507 . . . . 74.019999999999996 110.819 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 66.2 mt -97.19 96.52 8.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.36 -0.382 . . . . 70.409999999999997 110.394 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -98.4 101.35 12.77 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.983 -0.747 . . . . 61.219999999999999 108.983 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.8 mt -73.33 111.53 8.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.694 -0.684 . . . . 71.430000000000007 111.085 -175.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.578 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 48.9 mm -82.31 82.63 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 108.927 -0.768 . . . . 61.310000000000002 108.927 175.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -89.05 94.55 9.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.709 -1.132 . . . . 70.140000000000001 109.846 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.514 ' HG ' HG22 ' A' ' 93' ' ' ILE . 78.8 mt -97.75 16.38 20.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.664 -0.698 . . . . 74.430000000000007 110.883 -176.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -115.53 83.58 11.13 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 121.181 0.515 . . . . 71.140000000000001 109.746 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 95' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.905 0 C-N-CA 123.138 2.559 . . . . 51.549999999999997 111.521 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 CA--C 1.524 -0.037 0 CA-C-O 120.994 0.426 . . . . 75.409999999999997 110.338 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.5 m -160.09 141.16 12.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.92 -0.582 . . . . 75.150000000000006 109.953 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.9 m -105.48 152.31 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.766 0.317 . . . . 75.319999999999993 110.303 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -91.87 93.58 8.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.222 -0.445 . . . . 52.340000000000003 110.237 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -74.74 104.92 5.58 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.593 -0.521 . . . . 72.540000000000006 109.593 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -72.38 101.43 2.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.062 -0.517 . . . . 74.209999999999994 110.212 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.0 mt -87.14 118.5 33.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.977 -0.556 . . . . 73.109999999999999 110.348 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.4 m -121.16 98.37 5.95 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.055 -0.521 . . . . 64.400000000000006 109.894 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -76.67 124.02 27.02 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.586 -0.524 . . . . 60.130000000000003 109.586 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.512 ' HB2' HD13 ' A' ' 93' ' ' ILE . . . -56.81 -37.43 71.18 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.04 0.385 . . . . 74.120000000000005 112.04 -176.584 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.608 ' ND2' ' HA ' ' A' ' 97' ' ' PRO . 3.2 m-20 -59.9 -33.5 71.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 54.109999999999999 110.899 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.4 mt -127.26 86.1 2.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.298 -0.63 . . . . 50.439999999999998 109.298 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 13.9 ptpt -71.63 -2.03 15.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.216 -0.447 . . . . 63.329999999999998 111.979 -173.377 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 t -98.96 4.73 47.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.966 0.412 . . . . 63.310000000000002 110.013 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -78.9 107.58 11.74 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.475 -0.565 . . . . 72.140000000000001 109.475 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 p -118.65 23.77 11.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.829 -0.623 . . . . 64.219999999999999 111.193 -175.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.47 113.92 21.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.154 0.502 . . . . 53.030000000000001 111.278 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -90.51 150.5 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.836 -0.62 . . . . 74.200000000000003 109.929 176.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.61 139.99 52.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.075 0.464 . . . . 63.109999999999999 111.517 -176.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -81.18 112.77 18.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.619 -0.719 . . . . 74.200000000000003 110.911 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -140.18 169.64 17.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.922 0.391 . . . . 73.239999999999995 110.781 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 45.8 p -105.23 123.68 38.91 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.642 -0.708 . . . . 65.409999999999997 110.094 178.399 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 17.5 Cg_exo -66.73 -8.38 21.08 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.055 2.504 . . . . 60.299999999999997 112.318 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -77.67 3.55 13.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 74.310000000000002 111.138 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.8 ttm -91.14 146.58 23.72 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.776 -0.453 . . . . 64.340000000000003 109.776 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 p -95.36 151.72 19.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.121 0.486 . . . . 45.509999999999998 111.001 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 1.011 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 18.4 t -78.3 -8.28 11.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.83 0.824 . . . . 74.209999999999994 109.76 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 76' ' ' SER . 27.6 tt0 -66.03 -42.53 89.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.575 -0.739 . . . . 62.43 110.321 176.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.82 -31.16 45.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.881 -0.6 . . . . 72.319999999999993 112.112 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.21 -25.89 36.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 111.483 0.179 . . . . 55.25 111.483 -174.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -63.09 -51.74 65.4 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.799 0.333 . . . . 71.239999999999995 110.386 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 36.6 tt0 -68.54 -30.63 69.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.489 . . . . 74.430000000000007 110.101 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.99 -41.7 88.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.895 -0.593 . . . . 72.540000000000006 110.877 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.2 mt -81.64 -24.95 36.04 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.994 0.426 . . . . 73.230000000000004 110.597 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -69.53 -54.44 14.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.83 -0.623 . . . . 64.319999999999993 110.789 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 56.4 pttt -81.98 -6.85 59.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.942 0.401 . . . . 70.299999999999997 111.361 -176.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -80.49 -43.07 21.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.064 0.459 . . . . 74.219999999999999 110.306 176.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.7 t -160.29 -37.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.83 -0.623 . . . . 71.340000000000003 110.249 -176.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.19 50.03 0.84 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.738 -0.744 . . . . 35.409999999999997 112.208 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 53' ' ' SER . 18.3 m -67.94 -22.32 65.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 75.310000000000002 111.098 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 52' ' ' THR . 35.8 t 72.68 160.21 0.23 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.793 -0.639 . . . . 73.239999999999995 111.168 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -106.15 -1.22 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.876 -0.602 . . . . 71.310000000000002 110.747 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -99.47 -28.64 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 72.219999999999999 110.641 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -86.8 10.81 14.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.212 0.529 . . . . 71.120000000000005 110.259 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.8 ttp -147.07 132.43 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.84 -0.618 . . . . 74.349999999999994 110.208 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.624 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -117.12 141.77 47.85 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.774 -0.454 . . . . 75.120000000000005 109.774 175.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.4 mt -105.93 95.53 5.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.318 -0.401 . . . . 73.409999999999997 110.868 -174.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.782 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 24.3 mm-40 -79.6 88.11 5.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 61.140000000000001 110.252 176.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.464 ' H ' ' HB2' ' A' ' 70' ' ' ALA . 56.1 tp -79.62 104.16 10.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.65 -0.705 . . . . 64.109999999999999 110.221 178.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 60' ' ' GLU . 23.3 m-85 -105.01 139.66 39.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.008 -0.542 . . . . 54.329999999999998 111.127 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.412 ' HA ' ' CD1' ' A' ' 88' ' ' PHE . 15.8 t70 -74.47 88.82 2.12 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.916 -0.772 . . . . 61.109999999999999 108.916 176.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.9 t70 57.97 31.01 20.05 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.249 -0.887 . . . . 75.319999999999993 110.445 -177.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.611 ' OG ' ' HD2' ' A' ' 89' ' ' ARG . 74.1 m 69.54 0.95 3.14 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.25 -0.886 . . . . 73.329999999999998 112.907 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.92 -67.54 1.3 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.365 -0.921 . . . . 44.439999999999998 111.673 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.1 m -96.9 171.4 8.53 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.828 -0.434 . . . . 50.340000000000003 109.828 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -115.61 126.23 53.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.118 0.485 . . . . 73.209999999999994 110.412 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.3 m -125.45 17.66 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 74.010000000000005 111.114 -173.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.464 ' HB2' ' H ' ' A' ' 61' ' ' LEU . . . -79.08 91.29 4.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.109 -0.496 . . . . 53.520000000000003 111.068 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -102.03 -40.74 7.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.411 -0.359 . . . . 75.409999999999997 110.918 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 54.86 67.84 0.95 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.273 0.558 . . . . 72.129999999999995 111.194 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.7 t -134.34 6.01 3.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.159 0.981 . . . . 72.209999999999994 108.492 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -146.3 19.35 1.38 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.233 -1.349 . . . . 63.5 109.492 -172.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 1.011 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 7.7 p-10 -69.19 -17.31 63.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.323 -0.853 . . . . 73.549999999999997 111.141 -174.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 16.8 m -79.49 2.83 20.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.131 -0.486 . . . . 72.120000000000005 110.714 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.8 mmm180 -117.93 157.1 49.26 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 54.240000000000002 109.801 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.447 ' HB2' ' HB2' ' A' ' 81' ' ' PHE . 9.6 Cg_exo -72.63 118.05 5.41 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.471 2.114 . . . . 73.510000000000005 111.326 174.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.94 -37.47 79.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.878 0.371 . . . . 61.130000000000003 111.135 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.02 -3.65 88.31 Favored Glycine 0 CA--C 1.518 0.28 0 CA-C-N 116.115 -0.493 . . . . 51.130000000000003 113.058 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.447 ' HB2' ' HB2' ' A' ' 78' ' ' PRO . 85.5 t80 -76.96 -43.65 34.27 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.549 -0.537 . . . . 72.140000000000001 109.549 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -89.21 -54.74 3.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.615 -0.72 . . . . 75.109999999999999 109.618 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.9 t 57.82 88.18 0.13 Allowed Pre-proline 0 C--O 1.234 0.281 0 CA-C-N 115.238 -0.892 . . . . 74.109999999999999 111.913 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.46 -47.99 2.68 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.155 1.903 . . . . 73.299999999999997 110.061 171.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -144.01 -53.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.945 -1.025 . . . . 75.200000000000003 109.003 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.1 t70 69.5 159.3 0.18 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.213 -0.903 . . . . 63.439999999999998 111.495 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.65 38.88 8.51 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 110.875 -0.89 . . . . 35.420000000000002 110.875 -173.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 63' ' ' ASP . 57.8 m-85 -83.5 -178.44 7.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.263 0.554 . . . . 74.239999999999995 111.259 -175.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.611 ' HD2' ' OG ' ' A' ' 65' ' ' SER . 71.5 mtt180 -122.32 138.62 54.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.042 -0.725 . . . . 74.040000000000006 109.042 177.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.72 108.75 20.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.787 0.327 . . . . 75.430000000000007 111.569 -172.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.782 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 9.9 t-80 -88.2 96.26 10.48 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.827 -0.805 . . . . 71.409999999999997 108.827 174.137 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.7 mm -79.9 113.67 19.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.945 -0.57 . . . . 74.430000000000007 110.816 -173.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.624 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 38.4 mm -94.39 120.3 43.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.674 -0.693 . . . . 71.239999999999995 110.222 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -99.11 149.99 22.48 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.765 -0.828 . . . . 74.030000000000001 108.765 175.52 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 tp -76.08 -23.34 54.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.821 0.343 . . . . 74.0 110.841 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 35.0 t70 -127.83 117.56 20.89 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 120.71 0.291 . . . . 54.140000000000001 110.77 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.608 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 4.3 Cg_exo . . . . . 0 C--O 1.246 0.904 0 C-N-CA 123.184 2.589 . . . . 54.210000000000001 112.13 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.407 -0.22 . . . . 53.439999999999998 110.407 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.6 p 62.13 165.81 0.1 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.318 1.047 . . . . 73.019999999999996 112.757 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 27.8 m -125.15 144.0 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.888 -0.597 . . . . 63.020000000000003 110.683 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -92.76 110.39 21.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.093 -0.503 . . . . 72.319999999999993 111.196 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.6 mt -108.59 139.17 43.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.776 -0.647 . . . . 64.340000000000003 109.671 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -93.24 98.56 11.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.527 -0.306 . . . . 75.439999999999998 110.238 -176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.1 mt -81.37 132.75 30.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.338 -0.392 . . . . 70.439999999999998 110.869 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.699 ' HA ' ' HD2' ' A' ' 27' ' ' PHE . 17.3 m -139.86 127.82 22.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.345 -0.389 . . . . 54.530000000000001 110.216 176.322 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -86.47 149.28 25.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.173 -0.677 . . . . 60.0 109.173 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' HB3' ' HB2' ' A' ' 94' ' ' ASP . . . -61.31 -45.75 93.15 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.682 0.623 . . . . 61.450000000000003 112.682 -172.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -82.02 -11.32 58.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.239 0.542 . . . . 73.040000000000006 110.907 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.7 mt -93.49 113.73 25.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.054 0.454 . . . . 70.439999999999998 110.789 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -72.17 -53.79 11.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.811 -0.632 . . . . 72.150000000000006 110.127 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -98.25 96.05 7.81 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.764 -0.458 . . . . 75.140000000000001 109.764 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.699 ' HD2' ' HA ' ' A' ' 20' ' ' THR . 27.9 t80 -152.74 110.86 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.939 -0.573 . . . . 74.219999999999999 109.81 176.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -143.06 60.91 1.41 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.824 -0.625 . . . . 54.25 109.523 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.12 118.99 11.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.737 -0.665 . . . . 21.420000000000002 111.435 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -75.18 97.51 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.989 -0.551 . . . . 74.310000000000002 109.998 175.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.86 143.85 48.69 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.164 -0.471 . . . . 75.450000000000003 110.636 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 19.0 ptt180 -113.1 111.75 22.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.419 0.628 . . . . 55.329999999999998 110.406 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -105.1 165.03 11.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.582 -0.735 . . . . 73.209999999999994 109.922 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.1 p -87.44 146.36 39.5 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 110.117 -0.327 . . . . 72.420000000000002 110.117 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.57 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 42.0 Cg_endo -68.56 3.54 2.17 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.075 2.517 . . . . 51.420000000000002 112.803 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -97.91 4.33 49.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.288 -0.415 . . . . 63.32 110.643 -177.621 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 60.3 ttp -82.71 111.77 18.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.213 -0.449 . . . . 74.129999999999995 111.308 -177.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.3 m -93.71 142.33 27.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.668 -0.696 . . . . 65.349999999999994 109.136 172.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.655 ' HB ' ' HA ' ' A' ' 75' ' ' ASP . 41.7 t -64.54 -33.91 66.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 112.041 0.385 . . . . 64.019999999999996 112.041 -173.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.547 ' HB2' ' HB2' ' A' ' 75' ' ' ASP . 37.1 tt0 -68.37 -33.58 74.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.131 0.491 . . . . 60.420000000000002 109.735 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.39 -39.14 74.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 74.420000000000002 110.96 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.604 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.5 p -75.45 -30.27 22.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.606 -0.438 . . . . 55.340000000000003 110.703 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.875 ' HD3' ' HB ' ' A' ' 54' ' ' VAL . 87.6 mttt -63.74 -35.9 82.09 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.737 0.303 . . . . 75.140000000000001 110.539 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.58 -41.23 80.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.007 -0.542 . . . . 53.140000000000001 109.874 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -88.73 8.65 27.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.918 -0.583 . . . . 74.540000000000006 111.389 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 42' ' ' VAL . 89.3 mt -98.05 -42.57 7.43 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.048 -0.723 . . . . 53.200000000000003 109.048 170.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -64.88 -38.49 91.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.315 -0.857 . . . . 74.209999999999994 109.85 175.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -79.27 -4.51 51.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.942 -0.572 . . . . 74.549999999999997 111.892 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -107.58 -59.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.971 0.415 . . . . 74.409999999999997 111.321 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 60.8 m -97.99 -23.42 15.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.296 -0.411 . . . . 71.209999999999994 111.207 -175.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.48 67.97 1.6 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.548 -0.834 . . . . 52.240000000000002 111.411 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.6 m -146.32 135.56 22.78 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.863 -0.421 . . . . 64.540000000000006 109.863 -177.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 m -56.4 127.88 33.21 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.453 0.471 . . . . 63.200000000000003 109.914 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.875 ' HB ' ' HD3' ' A' ' 43' ' ' LYS . 26.9 m -70.8 3.68 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.091 -0.504 . . . . 73.519999999999996 112.012 -172.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -93.95 -32.05 14.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.074 -0.512 . . . . 75.219999999999999 110.778 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.2 m -75.94 -37.76 58.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 54.439999999999998 111.774 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.0 ttp -98.91 103.54 15.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.099 0.476 . . . . 55.240000000000002 110.634 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.425 ' H ' ' HB ' ' A' ' 93' ' ' ILE . . . -105.44 -174.84 2.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.716 -0.675 . . . . 64.209999999999994 110.464 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.8 mt -130.79 125.68 34.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 74.219999999999999 111.194 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.901 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 9.0 mm-40 -87.33 97.18 10.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.796 -0.638 . . . . 74.120000000000005 110.027 172.641 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.674 ' HG ' HG23 ' A' ' 69' ' ' VAL . 43.1 tp -83.94 104.66 14.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.038 -0.528 . . . . 52.119999999999997 110.13 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.583 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 27.4 m-85 -101.12 141.17 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.02 -0.536 . . . . 72.310000000000002 111.126 -179.179 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -117.19 -178.56 3.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 75.310000000000002 109.768 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -97.73 -20.0 17.87 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.015 0.376 . . . . 73.430000000000007 112.015 -176.171 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -84.86 -48.55 9.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.125 0.488 . . . . 53.420000000000002 110.177 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.93 -110.94 3.33 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.935 -0.65 . . . . 62.340000000000003 111.776 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.55 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 67.2 m -152.67 -70.82 0.15 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.358 -0.238 . . . . 75.319999999999993 110.358 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -106.22 114.31 28.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.329 -0.248 . . . . 54.439999999999998 110.329 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.674 HG23 ' HG ' ' A' ' 61' ' ' LEU . 2.7 m -108.8 28.8 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.968 0.413 . . . . 75.049999999999997 110.553 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.7 89.42 2.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.846 -0.615 . . . . 72.420000000000002 110.874 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.562 HG21 ' HZ ' ' A' ' 82' ' ' PHE . 62.9 t -68.01 -38.79 80.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.842 -0.617 . . . . 60.25 109.909 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 tp 70.77 19.23 5.99 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 115.162 -0.926 . . . . 63.100000000000001 111.129 172.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 t -109.49 -2.93 17.34 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.837 -1.171 . . . . 73.409999999999997 107.837 171.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.67 6.15 7.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 113.786 -1.552 . . . . 72.25 111.904 -177.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.655 ' HA ' ' HB ' ' A' ' 39' ' ' VAL . 1.8 p30 -71.11 -41.5 70.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.55 -0.295 . . . . 72.430000000000007 111.287 178.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.8 m -97.94 -8.78 27.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.812 0.339 . . . . 63.210000000000001 111.21 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.459 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 7.2 mmm180 -111.45 124.63 32.15 Favored Pre-proline 0 C--N 1.324 -0.538 0 C-N-CA 120.719 -0.392 . . . . 61.240000000000002 110.146 -175.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 77' ' ' ARG . 10.5 Cg_endo -54.53 122.06 10.89 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 122.51 2.14 . . . . 74.129999999999995 111.003 174.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.27 -22.94 54.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 75.530000000000001 111.762 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.57 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -67.99 -37.92 88.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 73.409999999999997 112.365 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -77.18 -21.45 53.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.294 0.569 . . . . 73.430000000000007 109.68 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.562 ' HZ ' HG21 ' A' ' 71' ' ' VAL . 49.9 t80 -84.7 1.11 47.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.405 -0.816 . . . . 72.150000000000006 110.146 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.6 t 70.45 90.52 0.08 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 115.363 -0.835 . . . . 53.450000000000003 110.823 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -86.98 157.38 8.6 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.876 2.384 . . . . 61.310000000000002 112.658 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -126.23 146.08 50.13 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.047 -0.524 . . . . 72.129999999999995 109.861 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -77.54 0.04 24.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.998 0.428 . . . . 61.149999999999999 110.766 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.1 4.24 60.63 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.03 -0.605 . . . . 45.219999999999999 111.921 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -71.22 124.44 24.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.185 0.517 . . . . 74.219999999999999 110.958 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.583 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 80.3 mtt85 -107.14 127.28 53.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.382 -0.826 . . . . 74.430000000000007 109.639 175.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.0 mt -103.52 94.84 5.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.162 -0.472 . . . . 71.340000000000003 110.303 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.901 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 8.5 t-80 -89.34 103.96 16.55 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.322 -0.621 . . . . 54.409999999999997 109.322 177.129 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.8 mt -65.43 126.5 24.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.795 -0.638 . . . . 74.409999999999997 110.552 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.53 HD11 ' HG2' ' A' ' 60' ' ' GLU . 31.3 mm -81.35 98.77 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.369 0.604 . . . . 61.439999999999998 110.656 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.404 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 24.6 m-20 -98.96 94.31 6.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.265 -0.88 . . . . 74.319999999999993 109.166 174.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 93.8 mt -82.73 -71.3 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.169 -0.468 . . . . 72.0 110.647 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 5.0 p-10 -153.42 146.14 17.51 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.924 -0.58 . . . . 72.409999999999997 110.424 -178.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 5.6 Cg_exo . . . . . 0 C--O 1.244 0.818 0 C-N-CA 123.155 2.57 . . . . 73.519999999999996 111.89 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 121.536 0.684 . . . . 53.439999999999998 110.371 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.9 p -161.02 145.65 13.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.529 -0.759 . . . . 73.019999999999996 109.776 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 m -105.94 126.22 61.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.888 0.375 . . . . 63.020000000000003 110.914 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.606 ' HB2' ' HB2' ' A' ' 86' ' ' ASP . 74.1 m80 -88.52 80.76 7.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.046 0.45 . . . . 72.319999999999993 109.891 175.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.6 mt -71.52 121.51 18.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.772 -0.649 . . . . 64.340000000000003 110.425 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -85.11 89.32 7.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.861 0.362 . . . . 75.439999999999998 110.362 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.5 mt -71.23 121.81 21.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 70.439999999999998 109.866 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.9 m -136.43 149.05 48.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.352 -0.385 . . . . 54.530000000000001 109.974 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -99.34 177.58 5.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.743 0.306 . . . . 60.0 110.358 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 94' ' ' ASP . . . -89.72 -37.74 14.35 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.414 -0.587 . . . . 61.450000000000003 109.414 173.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -72.77 -31.5 64.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.157 -0.928 . . . . 73.040000000000006 110.427 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.8 mt -113.64 111.25 21.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 70.439999999999998 110.203 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -78.98 -36.08 41.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 72.150000000000006 110.628 -175.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 t -109.65 89.88 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.987 0.422 . . . . 75.140000000000001 109.958 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -112.99 112.05 23.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.2 -0.454 . . . . 74.219999999999999 109.977 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.5 m -75.32 97.37 3.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.534 . . . . 54.25 110.703 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.37 30.23 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.126 -0.488 . . . . 21.420000000000002 111.252 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -78.2 76.42 4.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.872 0.844 . . . . 74.310000000000002 110.724 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.574 ' O ' ' HA ' ' A' ' 16' ' ' HIS . . . -96.71 159.7 14.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.333 -0.849 . . . . 75.450000000000003 110.658 -178.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -92.12 112.44 24.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.186 0.517 . . . . 55.329999999999998 110.203 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -108.38 160.33 15.95 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.768 -0.651 . . . . 73.209999999999994 110.77 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.443 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 41.3 m -71.53 139.71 84.02 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 115.581 -0.736 . . . . 72.420000000000002 110.4 177.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 36.1 Cg_exo -61.48 -28.15 83.18 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 122.793 2.329 . . . . 51.420000000000002 112.711 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -90.48 15.61 10.43 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.284 0.476 . . . . 63.32 112.284 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 52.8 ttp -85.78 90.61 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.918 -0.771 . . . . 74.129999999999995 108.918 173.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.0 p -85.01 170.25 13.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.0 -0.545 . . . . 65.349999999999994 111.466 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.744 ' HA ' HG12 ' A' ' 42' ' ' VAL . 55.4 t -68.6 -33.53 60.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 64.019999999999996 109.396 175.385 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.766 ' HB2' ' HA ' ' A' ' 76' ' ' SER . 38.9 tt0 -54.77 -40.97 69.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.677 -0.692 . . . . 60.420000000000002 110.442 175.028 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.65 -44.22 43.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.887 -0.597 . . . . 74.420000000000002 111.122 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.744 HG12 ' HA ' ' A' ' 39' ' ' VAL . 4.7 p -69.97 -25.98 29.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.394 -0.367 . . . . 55.340000000000003 111.55 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -59.46 -39.12 82.62 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.479 0.18 . . . . 75.140000000000001 110.813 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -67.12 -41.18 86.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.497 0.665 . . . . 53.140000000000001 110.116 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -71.75 -45.47 61.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.356 -0.838 . . . . 74.540000000000006 111.248 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.5 ' HG ' HG22 ' A' ' 42' ' ' VAL . 95.0 mt -73.28 -23.7 60.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.358 -0.383 . . . . 53.200000000000003 111.371 -178.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -58.48 -52.46 65.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.408 -0.36 . . . . 74.209999999999994 110.825 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -69.63 -25.95 64.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.342 -0.39 . . . . 74.549999999999997 111.409 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.491 ' NZ ' ' HA ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -67.61 -37.88 83.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 74.409999999999997 110.564 178.24 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.2 m -90.24 -36.86 14.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.056 -0.52 . . . . 71.209999999999994 111.228 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.94 14.81 81.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 52.240000000000002 111.541 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.1 m -153.13 166.28 32.98 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.636 -0.876 . . . . 64.540000000000006 108.636 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -60.45 135.84 57.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.894 0.378 . . . . 63.200000000000003 110.319 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.8 m -86.24 24.93 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.23 -0.441 . . . . 73.519999999999996 111.403 -174.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -64.62 -41.52 96.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.849 -0.614 . . . . 75.219999999999999 111.537 -176.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.2 m -73.57 -20.01 60.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.977 0.418 . . . . 54.439999999999998 111.851 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.0 ttp -90.71 91.23 8.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.029 0.442 . . . . 55.240000000000002 110.613 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.56 145.08 27.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.989 -0.55 . . . . 64.209999999999994 111.22 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.5 mt -103.52 108.71 20.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 74.219999999999999 110.778 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.721 ' HG3' HD11 ' A' ' 93' ' ' ILE . 3.2 mm-40 -80.37 108.98 14.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.247 -0.433 . . . . 74.120000000000005 110.278 175.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.543 ' HG ' HG23 ' A' ' 69' ' ' VAL . 36.4 tp -91.96 100.4 13.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.099 -0.501 . . . . 52.119999999999997 110.291 -178.545 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -98.98 152.37 19.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.966 -0.561 . . . . 72.310000000000002 111.082 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -126.03 -173.04 2.75 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.58 -0.896 . . . . 75.310000000000002 108.58 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -113.74 -1.3 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.14 0.422 . . . . 73.430000000000007 112.14 -176.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 t -103.29 -44.98 5.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.09 0.471 . . . . 53.420000000000002 110.136 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -102.42 -105.31 2.9 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.761 -0.654 . . . . 62.340000000000003 111.494 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.0 m -158.79 -60.43 0.07 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.942 0.401 . . . . 75.319999999999993 109.943 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -126.49 120.06 28.75 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.082 -0.508 . . . . 54.439999999999998 110.154 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.543 HG23 ' HG ' ' A' ' 61' ' ' LEU . 11.9 m -112.09 23.13 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.086 0.469 . . . . 75.049999999999997 110.77 178.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.56 94.17 2.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.907 -0.588 . . . . 72.420000000000002 111.017 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.11 -51.75 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.928 -0.578 . . . . 60.25 110.279 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 25.5 tp 65.52 27.3 11.65 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.65 -0.704 . . . . 63.100000000000001 111.066 174.217 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.4 t -121.2 -3.71 9.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.229 1.014 . . . . 73.409999999999997 108.564 174.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -101.43 5.4 42.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.047 -1.433 . . . . 72.25 110.442 -177.602 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -60.51 -43.92 96.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.644 -0.707 . . . . 72.430000000000007 112.183 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.766 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 54.7 m -93.63 6.93 46.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.155 0.502 . . . . 63.210000000000001 111.012 -175.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -107.35 150.85 40.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.078 -0.712 . . . . 61.240000000000002 109.078 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.402 ' HG2' ' HB2' ' A' ' 81' ' ' PHE . 9.2 Cg_endo -55.71 124.21 15.73 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.879 1.72 . . . . 74.129999999999995 110.605 172.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.881 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 27.8 tp -58.16 -38.13 76.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.991 0.424 . . . . 75.530000000000001 111.498 -173.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.16 -12.65 69.1 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.423 -0.418 . . . . 73.409999999999997 112.644 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.402 ' HB2' ' HG2' ' A' ' 78' ' ' PRO . 61.3 t80 -84.24 -27.3 28.04 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.238 -0.653 . . . . 73.430000000000007 109.238 177.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -82.96 -32.31 27.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.238 -0.892 . . . . 72.150000000000006 109.354 173.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.8 t 72.43 87.27 0.1 Allowed Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 115.055 -0.975 . . . . 53.450000000000003 110.992 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.881 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 60.8 Cg_endo -96.0 -166.84 0.12 Allowed 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.392 2.728 . . . . 61.310000000000002 112.008 176.012 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -137.09 157.31 46.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.401 -0.363 . . . . 72.129999999999995 110.146 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.606 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . 7.8 p-10 -80.84 4.0 20.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.187 -0.46 . . . . 61.149999999999999 110.998 -178.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.31 -6.02 69.17 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.583 -0.818 . . . . 45.219999999999999 112.316 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.526 ' HB3' HD11 ' A' ' 61' ' ' LEU . 47.7 m-85 -87.4 153.81 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.025 0.441 . . . . 74.219999999999999 110.752 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 89' ' ' ARG . 57.4 mtt85 -122.66 132.56 54.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.963 -0.562 . . . . 74.430000000000007 110.918 -176.039 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.1 mt -95.02 96.25 9.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.989 -0.551 . . . . 71.340000000000003 109.659 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -90.73 97.06 10.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.047 -0.524 . . . . 54.409999999999997 110.474 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.65 124.07 19.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.854 -0.612 . . . . 74.409999999999997 110.193 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.721 HD11 ' HG3' ' A' ' 60' ' ' GLU . 46.4 mm -80.09 116.93 25.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.029 0.442 . . . . 61.439999999999998 110.972 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.402 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 13.0 m-20 -88.94 110.88 21.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.815 -0.629 . . . . 74.319999999999993 109.781 176.37 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.63 ' HG ' HG22 ' A' ' 93' ' ' ILE . 96.9 mt -120.08 -80.11 0.61 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.919 0.39 . . . . 72.0 110.546 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 9.1 p-10 -155.41 120.2 2.52 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.104 -0.498 . . . . 72.409999999999997 110.548 -178.011 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 11.2 Cg_endo . . . . . 0 C--O 1.248 1.013 0 C-N-CA 123.436 2.757 . . . . 73.519999999999996 111.632 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.282 0.563 . . . . 53.439999999999998 110.812 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.602 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 14.7 p -137.6 119.52 15.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.064 -0.516 . . . . 73.019999999999996 111.677 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -83.67 123.09 38.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.562 -0.903 . . . . 63.020000000000003 108.562 169.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -89.46 94.94 10.07 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.082 0.468 . . . . 72.319999999999993 110.511 -172.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.496 HD13 HD11 ' A' ' 90' ' ' LEU . 88.9 mt -101.97 123.57 46.1 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.675 -0.693 . . . . 64.340000000000003 110.359 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -98.38 107.41 19.86 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.136 -0.69 . . . . 75.439999999999998 109.136 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.4 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 61.8 mt -81.15 133.91 28.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.543 -0.299 . . . . 70.439999999999998 110.66 -175.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.5 m -142.88 142.42 31.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.316 -0.402 . . . . 54.530000000000001 110.446 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.95 168.48 10.94 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.507 -0.553 . . . . 60.0 109.507 -178.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB2' ' H ' ' A' ' 94' ' ' ASP . . . -73.97 -57.04 4.23 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.879 -0.329 . . . . 61.450000000000003 111.232 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -71.74 -45.01 63.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.228 0.537 . . . . 73.040000000000006 110.313 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.3 mt -80.28 81.77 6.46 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.242 -0.651 . . . . 70.439999999999998 109.242 172.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -74.84 -29.6 61.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.731 -0.668 . . . . 72.150000000000006 110.442 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 t -97.95 60.76 1.5 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.915 -0.772 . . . . 75.140000000000001 108.915 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -106.07 94.42 5.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.543 -0.753 . . . . 74.219999999999999 109.668 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -82.73 82.05 8.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.006 -0.543 . . . . 54.25 110.802 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.4 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -113.17 97.65 6.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.093 -0.503 . . . . 21.420000000000002 109.818 175.199 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -101.63 125.05 48.22 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.359 -0.382 . . . . 74.310000000000002 110.526 -175.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.71 168.49 19.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.147 0.499 . . . . 75.450000000000003 111.558 -176.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.602 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 30.2 ptt180 -133.52 130.72 38.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.631 -0.713 . . . . 55.329999999999998 109.828 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.67 -170.6 2.29 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.479 -0.328 . . . . 73.209999999999994 110.386 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.448 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 9.5 p -103.19 148.5 35.75 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.335 -0.393 . . . . 72.420000000000002 110.571 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 13.4 Cg_exo -70.76 2.39 4.14 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.026 2.484 . . . . 51.420000000000002 112.641 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -85.45 -13.53 48.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.943 -0.571 . . . . 63.32 110.362 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 57.5 ttp -90.9 115.56 28.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 74.129999999999995 110.504 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.8 p -96.16 175.13 6.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.096 -0.502 . . . . 65.349999999999994 110.389 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.468 HG12 ' HE3' ' A' ' 43' ' ' LYS . 48.0 t -66.07 -39.09 83.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.972 0.415 . . . . 64.019999999999996 110.107 178.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.18 -33.04 73.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.255 0.55 . . . . 60.420000000000002 110.497 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.33 -46.96 75.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.817 -0.629 . . . . 74.420000000000002 111.173 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 p -71.79 -30.86 39.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 120.759 -0.376 . . . . 55.340000000000003 110.341 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HE3' HG12 ' A' ' 39' ' ' VAL . 96.3 mttt -57.35 -46.39 83.36 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.934 0.397 . . . . 75.140000000000001 110.589 176.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -59.38 -41.33 89.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.577 -0.738 . . . . 53.140000000000001 111.04 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -73.93 -35.66 64.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.37 -0.377 . . . . 74.540000000000006 110.909 -175.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.56 -35.34 78.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.356 0.598 . . . . 53.200000000000003 109.891 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.536 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 34.2 t90 -68.14 -17.34 64.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.122 -0.944 . . . . 74.209999999999994 110.679 176.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -97.91 -37.36 9.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.478 -0.328 . . . . 74.549999999999997 111.053 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -63.34 -52.9 59.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.073 -0.512 . . . . 74.409999999999997 111.325 -177.188 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.5 m -124.83 -3.35 7.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.611 -0.268 . . . . 71.209999999999994 111.499 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' A' ' 47' ' ' TRP . . . 70.97 29.03 69.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.543 -0.837 . . . . 52.240000000000002 111.283 -175.164 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 m -74.6 112.26 10.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.737 0.303 . . . . 64.540000000000006 110.982 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.0 m -64.23 119.75 10.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.558 -0.534 . . . . 63.200000000000003 109.558 174.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.25 -6.16 6.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 112.075 -174.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -68.05 -35.54 78.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.261 0.553 . . . . 75.219999999999999 110.079 174.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 3.6 p -101.65 21.69 14.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.661 -0.7 . . . . 54.439999999999998 111.204 -177.445 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.441 ' HB3' ' HE2' ' A' ' 57' ' ' MET . 48.2 ttp -145.88 100.29 3.38 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.105 0.479 . . . . 55.240000000000002 110.174 178.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.47 145.07 26.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.951 -0.568 . . . . 64.209999999999994 110.766 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.9 mt -109.01 103.47 12.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.155 0.502 . . . . 74.219999999999999 110.091 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.1 97.69 10.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.759 -0.655 . . . . 74.120000000000005 110.564 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.619 ' HG ' HG23 ' A' ' 69' ' ' VAL . 34.0 tp -84.79 97.36 9.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.781 -0.645 . . . . 52.119999999999997 109.528 178.272 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -94.5 159.03 15.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.746 -0.661 . . . . 72.310000000000002 110.529 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -118.11 -168.89 1.59 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.159 -1.052 . . . . 75.310000000000002 108.159 168.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -103.76 -21.59 13.66 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.629 -0.429 . . . . 73.430000000000007 111.95 -175.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.5 t -100.95 -41.79 6.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.838 0.352 . . . . 53.420000000000002 111.22 -171.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.76 -105.76 2.8 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.64 -0.79 . . . . 62.340000000000003 112.237 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -157.63 -68.79 0.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.991 0.424 . . . . 75.319999999999993 110.517 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -117.19 124.18 48.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 54.439999999999998 111.047 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.619 HG23 ' HG ' ' A' ' 61' ' ' LEU . 12.1 m -111.91 6.91 8.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.351 0.596 . . . . 75.049999999999997 110.11 173.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.585 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -81.51 97.46 7.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.512 -0.767 . . . . 72.420000000000002 110.448 176.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.518 ' HB ' ' OD2' ' A' ' 74' ' ' ASP . 47.4 t -82.19 -41.58 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.571 -0.286 . . . . 60.25 110.646 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.8 mp 65.57 30.4 10.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.574 0.702 . . . . 63.100000000000001 111.281 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 t -116.4 11.2 14.88 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.462 -1.681 . . . . 73.409999999999997 106.462 166.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.518 ' OD2' ' HB ' ' A' ' 71' ' ' VAL . 1.2 p30 -135.35 -0.43 2.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 113.184 -1.825 . . . . 72.25 110.203 -173.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -61.06 -36.25 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 72.430000000000007 111.824 -173.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.39 14.92 20.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.152 0.501 . . . . 63.210000000000001 110.729 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.541 ' HB3' ' HD2' ' A' ' 78' ' ' PRO . 45.0 mmm-85 -106.09 165.13 13.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.229 -0.656 . . . . 61.240000000000002 109.229 178.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.541 ' HD2' ' HB3' ' A' ' 77' ' ' ARG . 20.6 Cg_endo -62.29 110.79 1.11 Allowed 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 121.993 1.795 . . . . 74.129999999999995 111.759 174.815 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.565 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 50.5 tp -61.97 -27.93 69.2 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.113 -0.494 . . . . 75.530000000000001 111.164 -177.17 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.78 -22.47 64.33 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.261 -0.495 . . . . 73.409999999999997 112.741 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -78.98 -22.36 45.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.105 0.478 . . . . 73.430000000000007 109.992 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -80.04 -25.69 40.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 72.150000000000006 110.882 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.5 t 65.38 85.46 0.16 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 115.683 -0.69 . . . . 53.450000000000003 109.827 -174.306 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.565 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 6.1 Cg_exo -74.52 156.03 45.2 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 123.259 2.639 . . . . 61.310000000000002 113.258 -175.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -100.63 -176.03 3.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.303 -0.862 . . . . 72.129999999999995 110.048 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -107.2 8.25 29.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.684 0.278 . . . . 61.149999999999999 111.303 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -113.1 25.58 11.29 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.535 -0.841 . . . . 45.219999999999999 112.948 -178.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.583 ' HB3' HD11 ' A' ' 61' ' ' LEU . 14.0 m-30 -80.83 125.35 29.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.982 0.42 . . . . 74.219999999999999 111.33 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -108.11 116.32 31.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.02 -0.536 . . . . 74.430000000000007 110.759 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.496 HD11 HD13 ' A' ' 17' ' ' LEU . 95.9 mt -88.15 86.66 7.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.21 -0.45 . . . . 71.340000000000003 109.978 177.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -91.8 97.88 11.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.862 0.363 . . . . 54.409999999999997 110.075 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.24 126.61 27.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.754 -0.657 . . . . 74.409999999999997 110.496 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.3 mm -88.06 91.17 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.287 -0.635 . . . . 61.439999999999998 109.287 175.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.466 ' H ' ' HB2' ' A' ' 22' ' ' ALA . 19.7 m-20 -71.68 103.59 3.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.146 -0.934 . . . . 74.319999999999993 111.396 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 56' ' ' SER . 90.9 mt -105.17 -161.98 0.85 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.893 -0.78 . . . . 72.0 108.893 173.045 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 8.8 p-10 -81.63 118.39 71.99 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.98 0.419 . . . . 72.409999999999997 110.695 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 12.2 Cg_endo . . . . . 0 N--CA 1.45 -1.05 0 C-N-CA 123.196 2.597 . . . . 73.519999999999996 111.562 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 N--CA 1.465 0.316 0 CA-C-O 120.96 0.409 . . . . 72.310000000000002 110.51 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.7 m -59.68 125.05 22.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.545 -0.752 . . . . 52.509999999999998 111.22 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.0 m -70.59 137.65 23.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.849 -0.614 . . . . 62.130000000000003 109.589 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -93.54 83.55 4.53 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.136 0.493 . . . . 45.109999999999999 110.155 -174.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.5 mt -96.6 106.07 18.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.825 -0.625 . . . . 75.209999999999994 110.008 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -79.78 126.12 30.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.178 -0.465 . . . . 71.209999999999994 110.941 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.532 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 76.7 mt -85.04 120.7 35.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.535 -0.757 . . . . 74.120000000000005 110.512 -178.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.525 ' HB ' ' HA ' ' A' ' 91' ' ' HIS . 5.1 m -96.72 92.71 6.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.838 -0.619 . . . . 72.519999999999996 109.375 177.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -81.41 129.16 34.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.699 -0.682 . . . . 73.430000000000007 110.227 -176.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.02 -56.64 4.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.046 0.387 . . . . 65.109999999999999 112.046 -174.237 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -61.55 -61.74 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 74.230000000000004 111.554 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mp -96.97 88.02 4.41 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.466 -0.568 . . . . 72.409999999999997 109.466 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -85.55 -6.23 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.949 -0.568 . . . . 72.129999999999995 111.746 -175.175 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 t -97.93 1.65 48.24 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.344 -0.613 . . . . 61.420000000000002 109.344 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -95.32 98.67 10.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.525 -0.761 . . . . 62.240000000000002 109.585 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.5 m -86.31 102.76 14.27 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.039 -0.528 . . . . 73.25 110.804 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -123.19 141.66 51.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.862 -0.608 . . . . 53.509999999999998 109.688 175.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -126.09 145.63 50.26 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.004 -0.369 . . . . 65.319999999999993 110.004 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.44 94.72 9.25 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.949 -0.569 . . . . 73.439999999999998 109.636 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -101.53 91.16 4.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.841 0.829 . . . . 73.140000000000001 110.456 -178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -130.89 150.62 51.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.518 -0.765 . . . . 71.209999999999994 109.911 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 36' ' ' GLN . 31.7 m -65.1 135.41 96.27 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.091 -0.504 . . . . 74.049999999999997 109.898 177.132 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.568 ' HB2' ' N ' ' A' ' 80' ' ' GLY . 63.4 Cg_endo -71.53 20.89 0.25 Allowed 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.144 2.563 . . . . 65.310000000000002 113.398 -174.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' A' ' 34' ' ' SER . 66.2 mt-30 -88.26 -11.61 46.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.383 0.611 . . . . 73.5 109.633 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.2 ttt -95.98 146.95 24.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.251 -0.886 . . . . 73.519999999999996 110.192 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.3 p -98.06 149.3 22.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.18 -0.463 . . . . 71.349999999999994 110.527 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 42' ' ' VAL . 11.1 p -64.36 -22.12 30.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.358 0.599 . . . . 73.400000000000006 110.227 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -57.46 -35.92 70.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.597 -0.729 . . . . 54.100000000000001 111.226 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.71 -17.29 48.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.397 0.517 . . . . 75.230000000000004 112.397 -173.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 39' ' ' VAL . 9.3 p -92.76 -29.2 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.739 -0.384 . . . . 75.340000000000003 111.455 -176.169 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -61.99 -52.42 64.07 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.795 0.331 . . . . 65.549999999999997 111.127 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.04 -36.94 75.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.146 0.498 . . . . 70.340000000000003 110.862 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' HB2' ' HE3' ' A' ' 45' ' ' LYS . 29.5 ttmt -66.87 -33.41 75.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.841 -0.618 . . . . 74.109999999999999 111.106 -176.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.4 mt -75.15 -42.18 56.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 64.420000000000002 110.326 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -58.35 -42.39 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.896 -0.593 . . . . 62.350000000000001 111.086 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.37 -8.62 59.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.458 -0.337 . . . . 75.329999999999998 111.546 -176.781 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -98.99 -54.97 2.84 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.028 -0.269 . . . . 75.549999999999997 111.309 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 60.8 m -83.77 -36.49 23.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.433 -0.349 . . . . 73.230000000000004 111.371 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.15 -5.62 59.34 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.565 -0.826 . . . . 40.43 112.664 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.4 t -87.72 162.67 16.93 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.786 -0.45 . . . . 65.019999999999996 109.786 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 m -91.81 122.66 34.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.734 0.302 . . . . 74.239999999999995 111.239 -174.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.11 -15.85 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.324 -0.398 . . . . 73.030000000000001 111.278 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -71.15 -16.83 62.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.244 0.545 . . . . 63.420000000000002 110.188 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.7 m -107.0 4.27 26.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 52.420000000000002 110.249 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.7 ttt -85.54 100.9 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.88 -0.6 . . . . 71.120000000000005 110.484 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.71 110.53 15.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 74.25 111.001 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.415 ' CD2' HG12 ' A' ' 92' ' ' ILE . 94.6 mt -109.87 110.43 21.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 65.219999999999999 110.189 177.654 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.808 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 44.2 mt-10 -93.01 104.56 16.76 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.808 0.337 . . . . 74.230000000000004 110.324 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.483 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 51.4 tp -85.31 94.09 8.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.974 -0.557 . . . . 74.409999999999997 109.754 178.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.596 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 16.9 m-85 -89.13 149.49 23.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.025 -0.534 . . . . 64.25 111.214 -178.524 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.446 ' HB3' HG13 ' A' ' 69' ' ' VAL . 4.5 p-10 -85.12 0.41 51.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.349 -0.841 . . . . 64.310000000000002 109.391 173.267 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 63' ' ' ASP . 26.0 t70 89.19 -24.75 0.09 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.959 1.304 . . . . 71.030000000000001 112.054 178.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.3 p -78.88 -28.6 44.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.288 -0.565 . . . . 62.340000000000003 109.84 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.26 -3.92 2.51 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.826 -0.702 . . . . 75.109999999999999 112.434 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.4 m -101.09 142.7 32.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.78 0.324 . . . . 55.140000000000001 110.551 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -86.79 126.97 34.97 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.713 -0.477 . . . . 74.5 109.713 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.446 HG13 ' HB3' ' A' ' 63' ' ' ASP . 31.0 m -102.88 19.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.738 0.78 . . . . 71.049999999999997 110.036 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.483 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -84.63 105.58 15.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.189 -0.914 . . . . 75.219999999999999 111.613 -177.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -111.08 -31.88 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.915 -0.584 . . . . 74.409999999999997 109.791 171.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 72' ' ' LEU . 4.3 mm? 55.37 81.37 0.12 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.174 -0.921 . . . . 55.299999999999997 113.129 174.302 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.7 t -127.69 7.13 6.22 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.08 -0.711 . . . . 52.409999999999997 109.08 170.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -114.36 26.23 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.368 -0.833 . . . . 61.350000000000001 110.571 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.404 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.4 t70 -54.46 -51.8 63.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 71.439999999999998 111.135 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.2 m -99.27 5.69 46.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.742 -0.663 . . . . 54.350000000000001 111.482 -175.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -100.08 150.5 36.94 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.592 -0.276 . . . . 62.409999999999997 110.536 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.53 125.55 13.51 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.477 2.118 . . . . 70.120000000000005 111.311 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.7 tp -61.49 -24.82 66.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.332 -0.394 . . . . 64.150000000000006 111.521 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.568 ' N ' ' HB2' ' A' ' 35' ' ' PRO . . . -65.0 -31.1 79.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.264 -0.493 . . . . 64.400000000000006 112.459 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -73.99 -40.33 63.03 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.753 -0.462 . . . . 74.219999999999999 109.753 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -65.04 -42.87 93.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.596 -0.729 . . . . 64.340000000000003 110.037 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.1 t 63.33 89.72 0.1 Allowed Pre-proline 0 C--O 1.233 0.197 0 CA-C-N 115.401 -0.818 . . . . 64.310000000000002 110.55 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -80.93 159.6 21.05 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.569 2.179 . . . . 74.450000000000003 112.849 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -57.93 -25.53 61.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.495 -0.775 . . . . 74.310000000000002 111.785 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.9 t70 68.35 88.06 0.11 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.31 0.576 . . . . 72.540000000000006 110.204 -176.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 142.03 60.77 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.709 -0.678 . . . . 73.230000000000004 111.424 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -122.12 153.57 38.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.27 -0.27 . . . . 73.409999999999997 110.27 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.596 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 40.4 mmt180 -97.06 108.99 21.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.298 -0.41 . . . . 63.039999999999999 110.349 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.532 ' HB2' ' HA ' ' A' ' 19' ' ' ILE . 98.7 mt -83.29 85.65 7.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.711 -0.477 . . . . 72.319999999999993 109.711 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.808 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 12.1 t-80 -81.65 99.42 8.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.015 0.436 . . . . 55.509999999999998 110.258 -177.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.415 HG12 ' CD2' ' A' ' 59' ' ' LEU . 57.9 mt -86.12 119.87 35.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.753 -0.658 . . . . 42.310000000000002 109.883 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.446 HG22 ' HB3' ' A' ' 95' ' ' LEU . 46.7 mm -82.0 112.6 20.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.185 -0.461 . . . . 64.540000000000006 110.22 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -79.56 72.11 6.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.198 0.523 . . . . 53.32 109.684 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.536 HD23 ' H ' ' A' ' 95' ' ' LEU . 2.4 pt? -97.29 9.09 43.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.955 -0.566 . . . . 64.030000000000001 110.494 -178.675 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 18.2 t70 -82.24 107.62 9.3 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.684 -0.689 . . . . 72.5 110.192 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 9.5 Cg_endo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 123.322 2.681 . . . . 72.549999999999997 112.096 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.465 0.296 0 CA-C-O 120.298 0.094 . . . . 72.310000000000002 111.143 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 m -147.41 95.09 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.302 0.482 . . . . 52.509999999999998 112.302 -174.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.5 m -71.69 145.7 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.574 -0.899 . . . . 62.130000000000003 108.574 167.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -95.82 88.09 4.84 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.186 -0.606 . . . . 45.109999999999999 110.872 -174.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.6 ' HB3' HD11 ' A' ' 90' ' ' LEU . 98.0 mt -111.92 137.66 49.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 75.209999999999994 110.236 176.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -112.64 111.22 21.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.478 -0.328 . . . . 71.209999999999994 110.208 -177.599 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.535 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 68.3 mt -74.05 118.31 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.91 0.386 . . . . 74.120000000000005 110.443 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.593 ' HB ' ' HA ' ' A' ' 91' ' ' HIS . 5.4 m -116.57 108.94 16.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.025 -0.534 . . . . 72.519999999999996 110.653 -176.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -87.83 151.98 22.45 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.341 -0.614 . . . . 73.430000000000007 109.341 179.219 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.99 -54.74 4.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.81 0.338 . . . . 65.109999999999999 111.621 -174.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -79.22 -32.09 43.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.162 0.506 . . . . 74.230000000000004 110.544 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 27' ' ' PHE . 8.1 mp -99.81 83.35 2.73 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.036 -0.727 . . . . 72.409999999999997 109.036 173.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -75.87 -13.9 60.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.826 -0.625 . . . . 72.129999999999995 111.962 -172.676 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -109.67 27.14 9.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.324 0.583 . . . . 61.420000000000002 110.223 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 70.5 t80 -81.1 89.68 5.98 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.866 -0.606 . . . . 62.240000000000002 109.398 176.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -78.65 102.2 7.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.081 -0.509 . . . . 73.25 110.555 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.41 123.77 20.68 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.072 -0.513 . . . . 53.509999999999998 110.521 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -101.05 143.56 31.03 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.003 -0.544 . . . . 65.319999999999993 109.673 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.5 ' HB3' ' HB2' ' A' ' 17' ' ' LEU . . . -117.9 99.87 7.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.139 -0.482 . . . . 73.439999999999998 110.291 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -122.27 103.14 8.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.84 -0.618 . . . . 73.140000000000001 110.757 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -126.34 173.12 9.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.384 -0.825 . . . . 71.209999999999994 109.475 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.2 p -67.48 143.97 97.5 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.596 -0.274 . . . . 74.049999999999997 110.413 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.588 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 34.8 Cg_endo -65.34 -2.77 6.44 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.984 2.456 . . . . 65.310000000000002 112.905 -177.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.443 ' HA ' ' HB3' ' A' ' 78' ' ' PRO . 74.9 mt-30 -85.47 -7.53 58.86 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.079 0.466 . . . . 73.5 110.421 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.1 ttt -82.79 151.07 26.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.849 -0.614 . . . . 73.519999999999996 110.32 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 23.9 p -120.71 164.6 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.218 -0.446 . . . . 71.349999999999994 109.992 176.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' ' 42' ' ' VAL . 10.6 p -65.49 -21.22 28.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 121.508 0.671 . . . . 73.400000000000006 110.036 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -54.27 -36.65 63.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.234 -0.894 . . . . 54.100000000000001 111.043 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.23 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.546 . . . . 75.230000000000004 111.745 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 39' ' ' VAL . 9.2 p -82.96 -28.73 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.569 -0.452 . . . . 75.340000000000003 110.213 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -62.64 -54.06 45.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 65.549999999999997 110.226 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.64 -35.01 75.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.677 -0.692 . . . . 70.340000000000003 110.69 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -62.78 -53.69 50.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.94 -0.573 . . . . 74.109999999999999 110.835 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.85 -28.34 64.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 64.420000000000002 110.936 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -55.13 -53.78 51.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 62.350000000000001 111.097 176.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -90.42 9.79 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 75.329999999999998 111.129 -178.859 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -100.7 -53.04 3.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.068 0.461 . . . . 75.549999999999997 110.043 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 79.6 m -100.39 -21.86 15.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.051 -0.522 . . . . 73.230000000000004 111.408 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.06 40.49 93.11 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.524 -0.846 . . . . 40.43 111.905 -178.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -105.87 172.31 6.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.914 0.388 . . . . 65.019999999999996 110.435 -176.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.9 m -85.04 135.16 34.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.093 -0.503 . . . . 74.239999999999995 110.366 -177.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 m -71.55 -28.01 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 73.030000000000001 111.972 -176.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.89 -26.87 63.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.24 0.543 . . . . 63.420000000000002 110.116 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.8 m -79.47 -9.64 59.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.661 -0.7 . . . . 52.420000000000002 110.677 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.599 ' HE2' HD21 ' A' ' 59' ' ' LEU . 27.9 ttt -95.0 85.19 4.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.055 0.455 . . . . 71.120000000000005 110.303 -178.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.1 109.41 20.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.843 -0.617 . . . . 74.25 110.213 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.599 HD21 ' HE2' ' A' ' 57' ' ' MET . 94.1 mt -89.85 105.06 17.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.064 -0.516 . . . . 65.219999999999999 110.143 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.663 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 50.1 mm-40 -78.56 86.49 4.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.924 -0.58 . . . . 74.230000000000004 110.324 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 31.0 tp -89.43 104.13 16.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.541 -0.754 . . . . 74.409999999999997 110.087 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.499 ' CZ ' ' HB3' ' A' ' 60' ' ' GLU . 50.9 m-85 -102.18 151.44 22.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.99 -0.55 . . . . 64.25 110.561 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -84.24 -2.14 56.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.058 -0.519 . . . . 64.310000000000002 109.682 173.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.0 t70 81.28 -2.06 1.71 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.64 -1.164 . . . . 71.030000000000001 111.63 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 m -96.73 -38.42 9.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.687 -0.486 . . . . 62.340000000000003 109.687 173.567 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.32 -11.1 0.88 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 75.109999999999999 112.568 178.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.8 m -92.13 131.82 37.09 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.054 0.454 . . . . 55.140000000000001 110.601 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -71.27 127.97 34.34 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.212 0.53 . . . . 74.5 109.653 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.495 HG23 ' HG ' ' A' ' 61' ' ' LEU . 29.6 m -113.96 17.87 7.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-O 121.588 0.709 . . . . 71.049999999999997 109.701 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -84.01 60.51 5.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.072 -0.967 . . . . 75.219999999999999 111.536 -177.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.05 87.46 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.083 0.944 . . . . 74.409999999999997 109.36 173.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 1.032 ' HB3' ' HB3' ' A' ' 75' ' ' ASP . 3.0 mm? -90.68 82.81 5.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.473 -0.785 . . . . 55.299999999999997 111.274 -172.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.4 t -84.79 -30.51 24.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.725 -0.67 . . . . 52.409999999999997 109.412 173.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -103.58 27.42 7.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.401 -0.818 . . . . 61.350000000000001 109.753 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 1.032 ' HB3' ' HB3' ' A' ' 72' ' ' LEU . 20.0 p-10 -61.61 -27.29 68.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.674 -0.693 . . . . 71.439999999999998 111.472 -177.518 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 p -98.29 14.77 26.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.929 -0.578 . . . . 54.350000000000001 111.178 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -129.35 161.08 60.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.982 -0.377 . . . . 62.409999999999997 109.982 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.443 ' HB3' ' HA ' ' A' ' 36' ' ' GLN . 51.0 Cg_exo -55.8 125.91 20.66 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.508 2.139 . . . . 70.120000000000005 112.434 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.9 tp -60.59 -34.59 74.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.176 0.512 . . . . 64.150000000000006 111.183 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.588 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -70.92 -14.9 73.63 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.78 -0.646 . . . . 64.400000000000006 113.01 -177.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -70.11 -45.02 67.77 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.583 -0.525 . . . . 74.219999999999999 109.583 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -75.6 -40.35 56.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.828 -0.624 . . . . 64.340000000000003 110.271 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.5 m 62.01 88.82 0.11 Allowed Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 115.758 -0.656 . . . . 64.310000000000002 110.697 -178.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.672 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . 2.8 Cg_endo -80.96 -169.02 0.71 Allowed 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.003 2.469 . . . . 74.450000000000003 112.328 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 86.0 t80 -64.8 -31.92 73.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.259 -0.428 . . . . 74.310000000000002 110.835 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 85' ' ' PHE . 14.4 t70 72.48 132.61 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.861 0.726 . . . . 72.540000000000006 111.472 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.92 44.15 3.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 73.230000000000004 112.019 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.672 ' HE2' ' HB2' ' A' ' 84' ' ' PRO . 73.3 m-85 -92.4 166.28 12.64 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.281 0.562 . . . . 73.409999999999997 111.807 -175.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -94.47 115.82 28.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.256 -0.884 . . . . 63.039999999999999 110.059 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' A' ' 17' ' ' LEU . 92.4 mt -89.53 74.72 7.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.506 -0.553 . . . . 72.319999999999993 109.506 174.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.663 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 12.2 t-160 -81.66 102.76 10.9 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.116 0.484 . . . . 55.509999999999998 110.739 -175.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.2 mt -88.09 125.6 41.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.577 -0.738 . . . . 42.310000000000002 109.888 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.3 mm -78.28 111.22 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.294 -0.412 . . . . 64.540000000000006 110.353 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -84.07 93.17 8.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.95 0.405 . . . . 53.32 109.99 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.542 ' H ' HD23 ' A' ' 95' ' ' LEU . 2.6 pt? -123.71 6.05 8.82 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.118 -0.492 . . . . 64.030000000000001 110.663 -178.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 6.9 p-10 -82.48 116.71 65.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.393 0.616 . . . . 72.5 110.484 -176.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 57.7 Cg_endo . . . . . 0 C--O 1.251 1.172 0 C-N-CA 123.138 2.559 . . . . 72.549999999999997 112.066 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.034 0.445 . . . . 53.439999999999998 110.268 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.8 p -77.7 106.77 9.73 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.826 -0.624 . . . . 73.019999999999996 110.047 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.36 153.67 6.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.014 0.435 . . . . 63.020000000000003 110.961 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.492 ' HB2' ' HB2' ' A' ' 86' ' ' ASP . 34.5 m80 -108.53 152.84 24.19 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.301 -0.629 . . . . 72.319999999999993 109.301 178.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.582 ' HB2' ' HB2' ' A' ' 30' ' ' ASP . 95.6 mt -116.57 -154.12 0.54 Allowed 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 108.885 -0.783 . . . . 64.340000000000003 108.885 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.6 95.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.373 -0.603 . . . . 75.439999999999998 109.373 171.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.1 mt -80.93 133.21 29.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.844 -0.617 . . . . 70.439999999999998 109.976 -177.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.0 m -143.47 147.42 34.52 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.451 -0.574 . . . . 54.530000000000001 109.451 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -116.96 177.85 4.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.918 0.389 . . . . 60.0 110.84 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.95 -32.89 15.09 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.822 -0.807 . . . . 61.450000000000003 108.822 171.156 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -66.15 -58.31 5.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.867 -1.06 . . . . 73.040000000000006 109.634 171.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 27' ' ' PHE . 94.8 mt -86.82 97.13 10.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.536 -0.757 . . . . 70.439999999999998 110.202 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -69.67 -58.67 3.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.86 -0.609 . . . . 72.150000000000006 110.222 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.7 m -82.09 85.46 6.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.806 -0.634 . . . . 75.140000000000001 109.861 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.437 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 26.0 t80 -144.2 106.01 4.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.142 -0.481 . . . . 74.219999999999999 110.2 -178.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.5 m -127.6 78.38 1.82 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.871 -0.604 . . . . 54.25 110.163 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.91 147.94 44.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.61 -0.723 . . . . 21.420000000000002 109.681 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.582 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 4.9 p-10 -166.05 176.55 7.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.078 0.466 . . . . 74.310000000000002 110.633 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.81 128.21 46.22 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.54 -0.754 . . . . 75.450000000000003 110.382 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' H ' ' HG2' ' A' ' 32' ' ' ARG . 10.4 ptt180 -68.65 122.7 19.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.776 -0.647 . . . . 55.329999999999998 110.78 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -128.29 -173.58 2.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.855 -0.611 . . . . 73.209999999999994 110.686 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.5 p -90.35 149.36 40.97 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.458 -0.792 . . . . 72.420000000000002 110.152 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.435 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 56.5 Cg_endo -71.59 4.84 2.74 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.524 2.149 . . . . 51.420000000000002 112.018 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.581 ' HA ' ' HB3' ' A' ' 78' ' ' PRO . 48.2 mt-30 -101.84 6.62 41.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 63.32 110.888 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 57.5 ttp -76.53 107.75 9.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.963 -0.562 . . . . 74.129999999999995 109.949 176.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 10.7 p -84.54 143.68 29.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.25 -0.432 . . . . 65.349999999999994 110.89 -178.504 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 42.4 t -62.72 -28.51 45.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.178 0.514 . . . . 64.019999999999996 110.897 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -68.0 -40.54 82.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.241 -0.436 . . . . 60.420000000000002 109.941 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.08 -39.46 72.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 74.420000000000002 111.693 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.0 p -67.42 -28.62 42.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.679 0.276 . . . . 55.340000000000003 111.087 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 98.7 mttt -61.17 -46.0 92.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.81 0.338 . . . . 75.140000000000001 110.563 177.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -69.16 -30.35 68.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 53.140000000000001 110.878 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -72.89 -31.19 64.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.861 0.363 . . . . 74.540000000000006 110.467 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.37 -39.85 58.72 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.556 -0.535 . . . . 53.200000000000003 109.556 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -58.96 -36.13 74.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.493 -0.776 . . . . 74.209999999999994 110.665 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -86.91 12.88 10.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 74.549999999999997 111.95 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -129.26 -49.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.937 0.398 . . . . 74.409999999999997 110.839 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.2 m -91.4 -34.01 15.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.112 -0.495 . . . . 71.209999999999994 111.053 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.13 4.76 86.71 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.7 -0.762 . . . . 52.240000000000002 111.974 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.4 m -96.38 138.36 34.09 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.326 -0.25 . . . . 64.540000000000006 110.326 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.7 m -69.87 140.63 53.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.947 -0.39 . . . . 63.200000000000003 109.947 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -75.24 9.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 112.542 0.571 . . . . 73.519999999999996 112.542 -172.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.1 -30.26 67.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.973 0.416 . . . . 75.219999999999999 110.587 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 m -85.94 11.32 11.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.955 -0.566 . . . . 54.439999999999998 111.298 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.4 ttp -128.19 108.24 10.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.821 0.343 . . . . 55.240000000000002 110.8 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.559 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -99.19 121.79 41.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.163 -0.472 . . . . 64.209999999999994 110.299 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 81.0 mt -99.51 111.4 23.76 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.503 0.668 . . . . 74.219999999999999 110.597 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -104.84 112.52 25.66 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.913 -1.039 . . . . 74.120000000000005 109.397 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 88' ' ' PHE . 48.1 tp -94.08 118.45 31.55 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.394 -0.366 . . . . 52.119999999999997 111.136 -174.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.565 ' HA ' ' O ' ' A' ' 67' ' ' SER . 24.0 m-85 -97.99 141.67 30.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.799 -0.637 . . . . 72.310000000000002 110.86 176.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.51 175.5 5.47 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.385 -0.969 . . . . 75.310000000000002 108.385 169.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -97.56 -7.09 32.06 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.389 0.515 . . . . 73.430000000000007 112.389 -170.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.7 p -110.55 -33.03 6.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.909 0.385 . . . . 53.420000000000002 111.513 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.78 -113.17 3.08 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.753 -0.737 . . . . 62.340000000000003 111.998 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.565 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 50.2 m -152.02 -81.45 0.1 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.767 0.318 . . . . 75.319999999999993 110.906 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -99.09 122.0 41.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.88 0.371 . . . . 54.439999999999998 110.946 -175.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 m -127.91 41.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.15 0.5 . . . . 75.049999999999997 110.724 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.29 111.26 12.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.086 -0.506 . . . . 72.420000000000002 111.759 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.3 t -94.41 -71.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.489 -0.56 . . . . 60.25 109.489 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.7 tp 66.92 21.83 10.27 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.917 -0.583 . . . . 63.100000000000001 111.61 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -119.18 4.37 11.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.602 -0.888 . . . . 73.409999999999997 108.602 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -101.49 13.99 33.31 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.431 -1.259 . . . . 72.25 110.539 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.419 ' CB ' ' HB ' ' A' ' 39' ' ' VAL . 8.2 p-10 -63.91 -23.95 67.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.529 -0.759 . . . . 72.430000000000007 112.884 -171.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.7 m -94.4 3.2 55.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.926 0.393 . . . . 63.210000000000001 111.366 -178.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -121.95 160.36 47.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.672 -0.492 . . . . 61.240000000000002 109.672 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.581 ' HB3' ' HA ' ' A' ' 36' ' ' GLN . 19.8 Cg_exo -67.3 133.17 29.63 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.086 1.857 . . . . 74.129999999999995 110.432 171.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.882 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 35.8 tp -60.53 -29.25 69.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.275 0.559 . . . . 75.530000000000001 110.809 -178.208 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.435 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -67.52 -16.39 67.44 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.912 -0.585 . . . . 73.409999999999997 112.708 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -69.24 -30.52 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.117 0.484 . . . . 73.430000000000007 109.916 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -86.62 -25.82 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.7 -0.682 . . . . 72.150000000000006 109.695 175.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.6 m 65.58 83.45 0.19 Allowed Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 114.949 -1.023 . . . . 53.450000000000003 111.182 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.882 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 57.6 Cg_endo -95.09 -164.73 0.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.105 2.537 . . . . 61.310000000000002 112.794 -178.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.543 ' H ' ' HE2' ' A' ' 88' ' ' PHE . 96.8 m-85 -112.96 175.87 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 72.129999999999995 109.743 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.492 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . 2.2 p-10 -110.51 4.83 20.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.208 0.528 . . . . 61.149999999999999 110.101 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.98 21.4 36.07 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.854 -0.688 . . . . 45.219999999999999 112.85 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.543 ' HE2' ' H ' ' A' ' 85' ' ' PHE . 35.5 m-85 -80.64 146.51 31.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.823 0.344 . . . . 74.219999999999999 110.25 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -115.53 116.09 27.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.052 0.453 . . . . 74.430000000000007 110.372 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.6 mp -87.87 100.56 12.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.742 -0.663 . . . . 71.340000000000003 110.233 -177.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -87.23 96.05 10.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.181 0.515 . . . . 54.409999999999997 109.902 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 67.9 mt -76.53 114.12 16.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.66 -0.7 . . . . 74.409999999999997 109.676 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.559 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 45.5 mm -74.22 110.4 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.975 -0.557 . . . . 61.439999999999998 109.98 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.33 99.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.954 -0.566 . . . . 74.319999999999993 110.159 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.8 mt -100.87 -163.69 1.04 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.683 -0.689 . . . . 72.0 109.781 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -113.98 107.56 52.05 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 121.294 0.569 . . . . 72.409999999999997 110.801 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.773 2.315 . . . . 73.519999999999996 111.191 175.656 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 CA--C 1.515 -0.369 0 CA-C-O 121.155 0.502 . . . . 72.129999999999995 110.133 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 m -152.53 153.53 33.63 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.605 -0.725 . . . . 45.210000000000001 110.137 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 35.1 m -86.42 153.76 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.271 -0.64 . . . . 71.310000000000002 109.271 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.455 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 48.0 m80 -98.5 91.1 5.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.27 0.557 . . . . 72.310000000000002 110.922 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.92 113.64 16.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.601 -0.727 . . . . 72.400000000000006 109.644 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -93.18 94.32 8.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.03 0.443 . . . . 64.140000000000001 110.456 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.535 ' O ' ' HA ' ' A' ' 28' ' ' SER . 58.6 mt -69.63 117.91 13.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.865 -0.607 . . . . 71.109999999999999 110.312 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.539 ' O ' ' HA ' ' A' ' 91' ' ' HIS . 10.6 m -122.33 125.74 46.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.231 -0.441 . . . . 74.010000000000005 110.051 -178.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -84.61 165.01 18.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.643 0.259 . . . . 71.409999999999997 110.872 -178.282 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HB3' ' H ' ' A' ' 94' ' ' ASP . . . -99.0 -38.66 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 64.420000000000002 110.364 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -75.29 -63.97 1.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.312 -0.625 . . . . 72.049999999999997 109.312 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -87.78 92.64 9.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.946 -0.57 . . . . 65.099999999999994 109.782 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 25' ' ' LYS . 34.9 ttpt -67.85 -27.96 67.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.071 0.462 . . . . 55.149999999999999 110.411 -176.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.1 m -69.52 -16.17 63.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.941 -0.572 . . . . 75.019999999999996 111.099 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.531 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 92.8 t80 -75.53 106.28 7.0 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.269 0.557 . . . . 75.400000000000006 109.907 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 41.2 m -137.99 114.57 10.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.421 -0.809 . . . . 72.099999999999994 109.44 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.493 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -113.8 116.04 28.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.183 -0.462 . . . . 72.049999999999997 111.295 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -81.3 102.85 10.67 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.294 -0.632 . . . . 72.230000000000004 109.294 174.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -112.93 118.77 35.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.27 -0.423 . . . . 51.549999999999997 111.374 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 10.0 ptm180 -89.56 115.39 26.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.078 -0.51 . . . . 44.049999999999997 111.038 178.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -133.88 141.41 47.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.889 -0.596 . . . . 65.129999999999995 109.886 175.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -63.67 143.91 97.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.554 -0.294 . . . . 71.540000000000006 110.683 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.578 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 36.2 Cg_endo -64.46 -5.76 10.6 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.079 2.519 . . . . 74.310000000000002 113.074 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.52 -13.43 59.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.186 0.517 . . . . 72.25 110.419 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.5 ttt -88.02 146.32 25.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.846 -0.616 . . . . 72.109999999999999 109.78 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 p -102.06 163.04 12.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.282 -0.417 . . . . 52.140000000000001 110.81 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 41.4 t -65.81 -34.4 70.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.211 0.529 . . . . 61.329999999999998 109.611 176.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -51.78 -44.86 63.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.025 -0.988 . . . . 74.0 111.176 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.47 -33.14 75.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 64.129999999999995 111.336 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -74.02 -40.95 52.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.182 0.515 . . . . 72.129999999999995 110.021 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -61.17 -30.75 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.452 -0.794 . . . . 55.409999999999997 111.552 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 17.5 tt0 -52.77 -49.59 65.25 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.012 0.434 . . . . 54.130000000000003 110.803 176.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -68.28 -35.05 77.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.594 -0.73 . . . . 64.040000000000006 111.44 -172.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.99 -36.74 59.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.008 0.432 . . . . 75.010000000000005 110.474 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -64.12 -58.13 7.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.733 -0.667 . . . . 75.310000000000002 111.411 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 61.3 pttt -72.9 -6.08 42.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.856 0.36 . . . . 55.229999999999997 111.716 -174.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -77.15 -34.6 56.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.364 0.602 . . . . 63.420000000000002 109.822 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.7 m -103.46 -49.38 3.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.502 -0.772 . . . . 54.210000000000001 111.829 -171.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.88 29.1 35.75 Favored Glycine 0 N--CA 1.453 -0.197 0 N-CA-C 110.858 -0.897 . . . . 74.019999999999996 110.858 -172.025 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.8 m -100.54 157.95 16.28 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.268 -0.466 . . . . 63.340000000000003 110.012 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.8 m -55.07 137.0 47.51 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 110.168 -0.308 . . . . 72.129999999999995 110.168 176.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.1 p -67.29 -23.29 30.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.87 0.367 . . . . 73.019999999999996 111.167 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -77.02 -25.85 53.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.007 0.432 . . . . 43.219999999999999 110.661 178.015 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.467 ' HB3' ' HB2' ' A' ' 96' ' ' ASP . 17.0 m -73.72 -24.76 59.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.063 0.458 . . . . 64.239999999999995 110.379 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 48.8 ttp -92.18 83.53 5.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.757 -0.656 . . . . 62.409999999999997 109.892 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -89.05 138.56 31.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.823 -0.626 . . . . 64.310000000000002 110.215 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.532 ' HG ' HD13 ' A' ' 92' ' ' ILE . 5.9 tt -123.29 120.2 32.38 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.99 -0.744 . . . . 72.040000000000006 108.99 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.666 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 38.5 mm-40 -96.14 107.83 20.2 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.795 -0.446 . . . . 74.120000000000005 109.795 177.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.1 tp -73.5 87.73 1.61 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.283 0.563 . . . . 72.140000000000001 109.796 177.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -95.9 119.76 34.98 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.148 0.795 . . . . 65.430000000000007 113.148 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -76.8 145.38 38.52 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.11 -1.811 . . . . 74.409999999999997 106.11 157.071 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -79.75 62.97 4.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.832 0.825 . . . . 73.439999999999998 110.81 -171.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.7 m -123.66 -37.1 2.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.476 -1.238 . . . . 62.109999999999999 109.606 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.54 -54.06 0.45 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.775 -0.726 . . . . 55.109999999999999 112.508 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.5 t -96.74 165.19 12.24 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.04 0.448 . . . . 63.0 110.528 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -80.26 139.49 36.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.82 -0.627 . . . . 74.5 109.833 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.1 m -87.86 -1.5 8.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.821 0.343 . . . . 45.009999999999998 111.645 -176.543 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -147.32 150.46 34.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.702 0.287 . . . . 72.209999999999994 111.053 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.472 HG13 ' H ' ' A' ' 73' ' ' SER . 7.4 p -70.94 -17.92 20.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.437 0.637 . . . . 72.430000000000007 109.91 174.558 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 21.5 tp 64.18 20.17 12.07 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.128 -0.942 . . . . 65.409999999999997 111.706 175.014 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.472 ' H ' HG13 ' A' ' 71' ' ' VAL . 44.9 m -82.98 2.02 36.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.336 -0.987 . . . . 52.119999999999997 108.336 169.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -100.91 24.42 9.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 113.973 -1.467 . . . . 72.329999999999998 108.982 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.524 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 11.6 p-10 -71.23 -15.74 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 73.209999999999994 111.51 -173.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 t -87.78 -3.13 58.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.271 0.558 . . . . 51.329999999999998 109.681 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 77' ' ' ARG . 4.3 mmp_? -89.67 145.69 34.06 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.932 -0.576 . . . . 73.5 110.235 178.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -67.37 135.87 38.11 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.541 2.161 . . . . 73.150000000000006 111.207 173.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.3 mt -56.65 -36.15 69.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.228 -0.442 . . . . 61.340000000000003 112.184 -175.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.578 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -76.55 -10.97 85.58 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 121.234 -0.508 . . . . 72.310000000000002 112.72 -177.499 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -103.25 -0.61 30.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.681 0.753 . . . . 74.329999999999998 109.086 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -104.25 -63.87 1.16 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.315 -0.857 . . . . 61.509999999999998 109.858 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 16.3 p -175.26 105.11 0.26 Allowed Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.138 -0.483 . . . . 74.109999999999999 110.506 177.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 83' ' ' SER . 4.1 Cg_exo -80.08 71.28 7.13 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 123.318 2.679 . . . . 72.420000000000002 112.15 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -66.07 -62.12 1.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.775 -0.648 . . . . 64.450000000000003 111.176 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.9 t70 178.46 -56.88 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.373 0.606 . . . . 75.109999999999999 109.756 -176.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 16' ' ' HIS . . . 167.22 98.37 0.12 Allowed Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.206 -0.906 . . . . 54.210000000000001 111.206 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -71.39 161.06 31.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.951 0.405 . . . . 71.109999999999999 110.511 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -86.04 107.53 17.84 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.263 -0.643 . . . . 72.540000000000006 109.263 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 19' ' ' ILE . 81.6 mt -74.44 88.56 2.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.899 -0.591 . . . . 75.530000000000001 109.591 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.666 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 12.1 t-80 -82.44 94.79 7.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.105 0.479 . . . . 71.409999999999997 110.215 -177.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.532 HD13 ' HG ' ' A' ' 59' ' ' LEU . 47.1 mm -74.31 117.04 17.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.479 -0.782 . . . . 75.150000000000006 109.707 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.551 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 47.2 mm -81.22 107.0 13.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.128 -0.487 . . . . 72.209999999999994 110.187 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.471 ' H ' ' HB3' ' A' ' 22' ' ' ALA . 9.4 m-20 -72.61 67.68 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.159 -0.682 . . . . 62.509999999999998 109.159 173.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.1 tp -75.95 -43.31 45.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 75.140000000000001 110.685 -175.54 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.497 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 15.0 t70 -83.07 115.05 56.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.072 -0.513 . . . . 71.310000000000002 109.663 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 5.9 Cg_exo . . . . . 0 C--O 1.25 1.119 0 C-N-CA 123.236 2.624 . . . . 72.150000000000006 112.475 -175.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 121.702 0.763 . . . . 53.439999999999998 110.246 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.505 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 56.4 p -169.73 133.07 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.935 -0.575 . . . . 73.019999999999996 110.64 -177.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.675 HG11 ' HG2' ' A' ' 84' ' ' PRO . 18.6 m -121.35 134.33 65.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.996 0.427 . . . . 63.020000000000003 111.063 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -85.64 107.08 17.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.231 -0.441 . . . . 72.319999999999993 111.313 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.2 mt -87.21 100.04 12.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.575 -0.898 . . . . 64.340000000000003 108.575 171.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.604 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 71.0 m-70 -76.6 101.1 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.778 -0.646 . . . . 75.439999999999998 110.332 -172.625 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.2 mt -86.98 136.18 23.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.02 -0.537 . . . . 70.439999999999998 110.623 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.2 m -140.51 142.37 35.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.299 -0.41 . . . . 54.530000000000001 110.007 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.516 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 4.6 t60 -93.02 151.79 19.68 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.59 -0.522 . . . . 60.0 109.59 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . . . -72.19 -53.99 11.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.86 0.362 . . . . 61.450000000000003 111.263 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -75.33 -14.9 60.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.236 -0.438 . . . . 73.040000000000006 111.277 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.516 ' HB3' ' HB3' ' A' ' 21' ' ' HIS . 44.6 tp -120.58 100.47 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 70.439999999999998 110.464 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -67.6 -44.8 77.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.724 -0.671 . . . . 72.150000000000006 110.978 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 t -86.63 90.72 8.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.017 0.437 . . . . 75.140000000000001 109.836 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -133.54 95.37 3.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.824 -0.626 . . . . 74.219999999999999 110.182 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.8 m -103.4 86.9 2.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.099 0.476 . . . . 54.25 110.42 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.92 32.2 0.69 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.926 -0.579 . . . . 21.420000000000002 111.134 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.515 ' CB ' ' HA ' ' A' ' 18' ' ' HIS . 4.3 p-10 -77.86 155.79 30.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.999 0.428 . . . . 74.310000000000002 109.927 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.61 158.84 43.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.143 -0.481 . . . . 75.450000000000003 111.126 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.505 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 11.8 ptt180 -89.75 108.62 19.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.781 -0.645 . . . . 55.329999999999998 109.508 173.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -98.17 160.41 14.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.135 -0.484 . . . . 73.209999999999994 111.254 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.3 m -81.16 118.54 72.78 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.478 -0.783 . . . . 72.420000000000002 109.61 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.467 ' HB2' ' CA ' ' A' ' 80' ' ' GLY . 20.7 Cg_endo -61.22 -19.98 66.03 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.053 2.502 . . . . 51.420000000000002 114.018 -174.039 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -71.34 1.9 5.57 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.839 -0.538 . . . . 63.32 112.032 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 57.4 ttp -97.99 134.95 40.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.678 -0.49 . . . . 74.129999999999995 109.678 173.746 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.0 p -83.2 151.6 25.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.9 0.381 . . . . 65.349999999999994 110.83 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.506 ' O ' HG12 ' A' ' 42' ' ' VAL . 43.4 t -68.84 -29.07 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.283 0.563 . . . . 64.019999999999996 109.891 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.526 ' HB2' ' HA ' ' A' ' 76' ' ' SER . 45.5 tt0 -62.5 -40.44 96.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.864 -0.607 . . . . 60.420000000000002 110.418 175.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.3 87.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.104 -0.498 . . . . 74.420000000000002 111.454 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.7 p -75.11 -30.65 23.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.617 -0.433 . . . . 55.340000000000003 110.826 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 93.8 mttt -61.24 -51.34 69.37 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.12 -0.696 . . . . 75.140000000000001 109.12 173.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 30.0 tt0 -57.16 -45.86 83.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.861 -1.063 . . . . 53.140000000000001 110.801 178.372 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -63.12 -37.55 87.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.851 -0.613 . . . . 74.540000000000006 111.434 -176.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.6 mt -75.67 -37.39 59.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.1 0.476 . . . . 53.200000000000003 110.415 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -60.47 -43.35 97.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.889 -0.596 . . . . 74.209999999999994 110.559 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 9.5 mtpm? -62.08 -19.96 63.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.013 -0.54 . . . . 74.549999999999997 111.419 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -86.88 -52.0 5.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.449 -0.341 . . . . 74.409999999999997 111.256 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.4 m -99.64 -39.31 8.34 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.528 0.566 . . . . 71.209999999999994 112.528 -173.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.91 22.24 39.63 Favored Glycine 0 N--CA 1.454 -0.127 0 C-N-CA 120.539 -0.838 . . . . 52.240000000000002 112.113 -174.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.9 m -90.21 134.58 34.2 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.202 -0.295 . . . . 64.540000000000006 110.202 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 m -53.48 133.65 40.78 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.39 -0.368 . . . . 63.200000000000003 111.067 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.26 -16.07 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 112.15 0.426 . . . . 73.519999999999996 112.15 -173.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -81.51 -28.29 34.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.851 0.358 . . . . 75.219999999999999 110.279 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.7 m -75.46 -25.79 57.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.409 0.624 . . . . 54.439999999999998 109.86 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.4 ttp -89.64 71.43 7.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.627 -0.715 . . . . 55.240000000000002 109.188 174.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.453 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -82.96 125.09 31.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.39 -0.823 . . . . 64.209999999999994 111.226 -176.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.5 mt -110.57 97.4 6.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.176 -0.466 . . . . 74.219999999999999 110.281 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.65 111.95 13.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.941 0.401 . . . . 74.120000000000005 110.237 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 88' ' ' PHE . 34.0 tp -78.52 101.43 7.36 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.794 -0.639 . . . . 52.119999999999997 110.035 178.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -90.01 118.7 29.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.979 -0.555 . . . . 72.310000000000002 110.03 177.574 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -81.44 153.92 26.65 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.994 -0.743 . . . . 75.310000000000002 108.994 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -94.11 55.14 2.01 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.354 0.597 . . . . 73.430000000000007 110.382 -176.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -161.25 -54.9 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.779 -0.646 . . . . 53.420000000000002 110.044 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.43 -92.18 1.74 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.204 -0.522 . . . . 62.340000000000003 112.376 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -164.28 -75.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.739 0.305 . . . . 75.319999999999993 111.065 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -124.0 126.33 46.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.424 -0.353 . . . . 54.439999999999998 110.765 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 m -122.64 74.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.552 0.692 . . . . 75.049999999999997 110.835 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.61 94.7 5.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.756 -0.656 . . . . 72.420000000000002 111.383 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.1 t -93.11 -41.44 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.092 -0.707 . . . . 60.25 109.092 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.9 tp 61.61 37.98 15.75 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.842 -1.072 . . . . 63.100000000000001 111.427 174.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.8 t -127.26 4.36 6.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 122.104 0.954 . . . . 73.409999999999997 108.562 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -118.59 -9.61 10.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.592 -1.186 . . . . 72.25 110.333 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.476 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 9.5 p-10 -76.97 -28.18 55.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.473 -0.785 . . . . 72.430000000000007 110.6 -175.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.526 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 9.7 m -89.56 14.41 11.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.828 -0.624 . . . . 63.210000000000001 110.287 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.4 mmm-85 -121.27 157.47 55.73 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.032 -0.729 . . . . 61.240000000000002 109.032 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -59.2 117.77 4.56 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 121.838 1.692 . . . . 74.129999999999995 110.368 172.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.549 ' O ' ' HD3' ' A' ' 84' ' ' PRO . 14.8 tp -62.36 -24.67 67.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.42 -0.354 . . . . 75.530000000000001 110.704 -172.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.467 ' CA ' ' HB2' ' A' ' 35' ' ' PRO . . . -66.64 -36.84 91.92 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.424 -0.417 . . . . 73.409999999999997 112.102 176.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -68.09 -36.99 80.69 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.569 -0.53 . . . . 73.430000000000007 109.569 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -69.06 -30.84 69.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.41 -0.813 . . . . 72.150000000000006 110.334 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.6 t 66.13 91.17 0.08 OUTLIER Pre-proline 0 C--N 1.333 -0.112 0 CA-C-N 115.559 -0.746 . . . . 53.450000000000003 110.029 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.675 ' HG2' HG11 ' A' ' 15' ' ' VAL . 83.7 Cg_endo -83.49 154.81 13.98 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.465 2.11 . . . . 61.310000000000002 112.227 -175.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -117.8 142.45 47.27 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.099 -0.5 . . . . 72.129999999999995 109.803 177.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -75.84 89.99 2.91 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.231 0.539 . . . . 61.149999999999999 110.638 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.52 30.09 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.88 -0.676 . . . . 45.219999999999999 111.926 177.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.561 ' HB3' HD11 ' A' ' 61' ' ' LEU . 93.3 m-85 -131.03 151.18 51.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.668 0.27 . . . . 74.219999999999999 110.418 -178.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.604 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 79.1 mtt85 -124.16 134.36 53.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.323 -0.398 . . . . 74.430000000000007 110.878 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.3 mt -95.09 101.39 13.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.745 -0.661 . . . . 71.340000000000003 109.768 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -89.97 101.06 13.76 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.081 -0.34 . . . . 54.409999999999997 110.081 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 45.0 mt -69.57 106.61 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.839 -0.619 . . . . 74.409999999999997 109.938 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.493 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 47.1 mm -79.71 121.5 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.352 -0.386 . . . . 61.439999999999998 110.476 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.64 96.95 5.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.087 -0.506 . . . . 74.319999999999993 110.325 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.4 mt -103.51 -168.07 1.46 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.324 -0.398 . . . . 72.0 110.029 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.507 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 8.1 p-10 -92.78 141.39 24.32 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.829 -0.623 . . . . 72.409999999999997 110.911 -178.501 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 9.8 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 123.533 2.822 . . . . 73.519999999999996 112.582 -177.263 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--O 1.234 0.262 0 N-CA-C 109.035 -0.728 . . . . 71.530000000000001 109.035 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.537 ' HB3' ' HB2' ' A' ' 32' ' ' ARG . 62.0 m -155.41 121.46 5.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.716 0.293 . . . . 52.350000000000001 110.884 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.702 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 29.8 m -77.12 132.8 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.326 -0.397 . . . . 72.329999999999998 110.483 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.46 ' HB2' ' HA3' ' A' ' 87' ' ' GLY . 34.3 m80 -89.22 88.25 7.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.347 -0.388 . . . . 63.32 111.738 -172.563 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.477 HD12 ' HD2' ' A' ' 33' ' ' PHE . 88.6 mt -84.78 100.53 11.59 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.538 -0.542 . . . . 64.25 109.538 175.588 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.537 ' HB2' ' HD3' ' A' ' 89' ' ' ARG . 38.3 m-70 -80.54 111.0 16.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.95 -0.568 . . . . 74.430000000000007 110.01 -176.212 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.4 mm -83.49 108.11 15.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.959 0.409 . . . . 52.030000000000001 110.577 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 m -118.28 145.67 44.88 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.05 -0.523 . . . . 52.130000000000003 110.057 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.449 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 20.8 m-70 -120.07 177.14 5.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.052 0.453 . . . . 73.129999999999995 111.304 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.446 ' HB3' ' H ' ' A' ' 94' ' ' ASP . . . -108.99 -32.96 7.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.378 -0.828 . . . . 44.210000000000001 108.915 171.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -69.31 -34.44 74.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.424 -0.807 . . . . 72.409999999999997 109.203 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mp -115.09 101.94 9.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.051 -0.977 . . . . 72.409999999999997 108.575 173.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -55.73 -31.89 62.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.7 -0.682 . . . . 72.150000000000006 112.137 -174.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.9 t -139.73 99.9 3.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.223 -0.658 . . . . 75.400000000000006 109.223 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -99.31 122.91 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.905 -0.589 . . . . 74.200000000000003 110.148 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 p -80.61 91.84 5.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.994 -0.548 . . . . 63.509999999999998 110.891 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -164.17 109.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.132 -0.486 . . . . 73.230000000000004 110.996 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -109.86 102.06 10.86 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.454 -0.573 . . . . 71.439999999999998 109.454 173.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.05 91.14 8.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.254 -0.43 . . . . 71.099999999999994 110.619 -176.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.702 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 11.0 ptt180 -93.44 108.92 20.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.442 0.639 . . . . 71.109999999999999 110.233 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.477 ' HD2' HD12 ' A' ' 17' ' ' LEU . 74.0 m-85 -104.31 178.15 4.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.657 -0.701 . . . . 75.409999999999997 111.477 -175.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.425 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 22.0 p -82.83 145.79 51.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.301 -0.863 . . . . 61.020000000000003 110.862 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 48.6 Cg_exo -57.7 150.29 62.78 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.224 2.616 . . . . 34.329999999999998 113.135 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.638 ' HA ' ' H ' ' A' ' 80' ' ' GLY . 37.2 mt-30 65.17 21.68 12.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.217 -0.901 . . . . 74.25 113.244 177.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.78 142.44 54.92 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.611 -0.515 . . . . 70.549999999999997 109.611 172.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 t -77.02 123.2 26.01 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.805 -0.443 . . . . 73.310000000000002 109.805 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.559 HG12 ' HE3' ' A' ' 43' ' ' LYS . 7.8 t -71.0 -28.77 34.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.217 -0.447 . . . . 72.340000000000003 110.328 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 44.5 tt0 -62.52 -35.19 78.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.195 -0.457 . . . . 71.329999999999998 110.161 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.18 89.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.973 -0.558 . . . . 53.43 111.59 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.407 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 11.1 p -79.25 -30.55 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.663 -0.415 . . . . 73.040000000000006 110.364 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.559 ' HE3' HG12 ' A' ' 39' ' ' VAL . 98.4 mttt -66.32 -37.13 84.67 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.775 0.321 . . . . 74.319999999999993 110.174 175.595 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.428 ' HG2' ' HE2' ' A' ' 48' ' ' LYS . 28.8 tt0 -61.03 -37.41 82.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 73.200000000000003 110.111 175.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.441 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 60.8 tttt -71.03 -35.34 71.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.906 -0.588 . . . . 75.329999999999998 109.937 -178.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 42' ' ' VAL . 96.0 mt -65.51 -39.35 91.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.087 0.47 . . . . 72.129999999999995 110.136 174.096 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -62.22 -36.06 80.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.729 -0.669 . . . . 73.430000000000007 110.4 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 45' ' ' LYS . 54.5 mtmt -80.14 12.03 3.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.96 -0.563 . . . . 74.340000000000003 111.759 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -64.02 -45.31 89.5 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.594 -0.521 . . . . 70.430000000000007 109.594 171.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.3 p -139.19 -0.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.707 -0.679 . . . . 72.540000000000006 111.121 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.23 38.76 53.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.837 -0.697 . . . . 44.140000000000001 111.756 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.5 m -135.92 144.84 45.71 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.103 -0.332 . . . . 62.25 110.103 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 m -58.21 148.48 26.93 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.901 0.381 . . . . 72.099999999999994 111.031 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.47 81.29 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.284 0.564 . . . . 72.329999999999998 109.805 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -114.5 -37.96 4.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.683 -0.689 . . . . 54.140000000000001 110.623 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.8 p -86.99 6.29 33.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.988 -0.551 . . . . 64.129999999999995 111.281 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.9 ttm -134.55 131.55 38.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.187 -0.46 . . . . 64.540000000000006 110.236 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.431 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -114.9 130.75 56.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.36 -0.382 . . . . 73.299999999999997 110.539 178.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.1 mt -101.0 100.89 11.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.002 0.43 . . . . 74.140000000000001 110.647 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 17.5 mm-40 -87.54 111.87 21.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.02 -0.536 . . . . 65.409999999999997 111.059 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.3 tp -86.51 113.7 22.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.035 -0.529 . . . . 74.200000000000003 110.216 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.525 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 27.0 m-85 -114.49 135.91 53.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.262 0.553 . . . . 74.109999999999999 112.086 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.672 ' HB3' ' HB2' ' A' ' 67' ' ' SER . 20.7 t70 -82.5 124.33 30.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.051 -0.977 . . . . 74.349999999999994 109.38 173.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.7 t70 72.01 -64.35 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.977 0.798 . . . . 62.109999999999999 111.002 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' SER . . . . . 0.531 ' HA ' ' HG3' ' A' ' 89' ' ' ARG . 73.4 m -161.76 -51.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.393 -0.367 . . . . 71.099999999999994 111.881 -177.474 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.56 -25.78 3.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 119.787 -1.196 . . . . 55.5 114.161 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.672 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 20.0 m -60.76 116.19 4.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.005 0.402 . . . . 75.129999999999995 111.316 -174.709 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -76.64 106.07 8.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.082 -0.508 . . . . 61.009999999999998 110.218 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.7 m -124.38 34.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.059 0.456 . . . . 75.319999999999993 110.979 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.64 108.61 2.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.932 -0.576 . . . . 62.240000000000002 110.85 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 p -129.19 145.05 36.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.691 -0.686 . . . . 73.140000000000001 109.663 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.9 tp -117.51 102.22 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.266 0.555 . . . . 74.310000000000002 110.652 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.4 t -164.88 22.28 0.06 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.315 -0.994 . . . . 73.540000000000006 108.315 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.489 ' HB2' HG21 ' A' ' 39' ' ' VAL . 5.0 p-10 -114.11 -11.35 12.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.423 -1.262 . . . . 55.549999999999997 112.02 -167.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 31.0 m-20 -64.75 -42.81 94.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.271 0.558 . . . . 54.509999999999998 110.494 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.2 m -99.91 9.85 42.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.832 -0.622 . . . . 64.439999999999998 111.227 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 14.3 mmt180 -133.24 138.43 31.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.388 . . . . 73.299999999999997 111.583 -173.721 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 77' ' ' ARG . 23.6 Cg_exo -65.02 125.09 14.05 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.563 2.176 . . . . 71.219999999999999 110.968 173.702 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.89 -31.52 64.96 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.907 0.384 . . . . 74.329999999999998 111.706 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.638 ' H ' ' HA ' ' A' ' 36' ' ' GLN . . . -75.11 -20.25 79.35 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.878 -0.677 . . . . 73.109999999999999 112.947 -177.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -68.07 -30.13 69.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.958 0.408 . . . . 74.120000000000005 110.105 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -74.66 -18.17 60.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.709 -0.678 . . . . 71.450000000000003 110.294 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t 66.9 95.37 0.05 OUTLIER Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.448 -0.796 . . . . 74.219999999999999 110.625 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.493 ' HG2' HG11 ' A' ' 15' ' ' VAL . 7.8 Cg_exo -73.17 151.62 49.51 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 123.08 2.52 . . . . 73.329999999999998 112.589 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -63.89 -60.76 2.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.859 -0.609 . . . . 72.209999999999994 110.345 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -166.31 -56.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.509 -0.769 . . . . 72.140000000000001 109.114 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . 0.46 ' HA3' ' HB2' ' A' ' 16' ' ' HIS . . . -160.7 156.61 27.97 Favored Glycine 0 N--CA 1.436 -1.314 0 CA-C-N 114.953 -1.021 . . . . 65.219999999999999 111.546 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -128.46 164.15 23.37 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.957 0.408 . . . . 74.040000000000006 110.503 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.537 ' HD3' ' HB2' ' A' ' 18' ' ' HIS . 16.6 mmt180 -96.11 111.16 23.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.89 -0.596 . . . . 74.099999999999994 110.38 177.297 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.5 mt -90.5 92.15 8.74 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.041 -0.726 . . . . 72.310000000000002 109.041 174.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 10.7 t-160 -88.54 98.13 11.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.832 -0.622 . . . . 72.510000000000005 110.197 -175.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.9 mt -76.75 112.38 14.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.487 -0.778 . . . . 75.030000000000001 110.5 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.431 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 45.0 mm -76.31 100.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.433 -0.58 . . . . 72.209999999999994 109.433 176.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.449 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 23.0 m-20 -83.07 92.71 7.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.931 -0.577 . . . . 74.400000000000006 110.867 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.84 71.99 6.55 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.649 -1.241 . . . . 73.430000000000007 107.649 172.19 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -110.9 119.75 45.23 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.013 -0.994 . . . . 70.219999999999999 110.497 -172.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 C--O 1.248 1.008 0 C-N-CA 122.646 2.23 . . . . 70.439999999999998 112.001 178.429 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 CA--C 1.518 -0.269 0 N-CA-C 109.764 -0.458 . . . . 53.439999999999998 109.764 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.5 p 173.58 114.93 0.02 OUTLIER 'General case' 0 C--O 1.232 0.155 0 O-C-N 123.527 0.517 . . . . 73.019999999999996 111.995 173.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 33' ' ' PHE . 20.7 m -109.99 100.34 10.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.875 -0.787 . . . . 63.020000000000003 108.875 164.003 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -77.53 82.55 3.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.441 -0.799 . . . . 72.319999999999993 111.726 -176.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.707 HD11 HD21 ' A' ' 79' ' ' LEU . 92.9 mt -86.11 106.07 16.98 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.858 -0.61 . . . . 64.340000000000003 109.766 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.654 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 70.5 m-70 -77.88 112.68 15.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.063 -0.517 . . . . 75.439999999999998 110.191 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 58.7 mt -76.42 122.36 30.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.883 0.373 . . . . 70.439999999999998 110.338 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.9 m -131.17 129.79 42.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.247 -0.433 . . . . 54.530000000000001 110.216 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 24' ' ' LEU . 5.7 t-160 -97.73 149.96 21.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.759 -0.46 . . . . 60.0 109.759 -176.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HB3' ' OD2' ' A' ' 94' ' ' ASP . . . -67.92 -39.55 83.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.666 0.27 . . . . 61.450000000000003 110.966 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -75.7 -34.35 60.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.784 0.326 . . . . 73.040000000000006 110.855 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 21' ' ' HIS . 90.6 mt -106.77 92.9 4.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.491 -0.322 . . . . 70.439999999999998 110.29 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -50.56 -51.99 43.09 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.941 0.775 . . . . 72.150000000000006 111.572 -177.073 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 t -105.2 96.62 6.65 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.323 0.582 . . . . 75.140000000000001 109.9 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -103.58 114.75 29.25 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.114 -0.699 . . . . 74.219999999999999 109.114 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.3 m -81.91 83.2 7.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.879 0.371 . . . . 54.25 111.097 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.523 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -147.83 89.93 1.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.258 0.552 . . . . 21.420000000000002 110.902 177.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -107.38 123.24 48.08 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.047 -0.723 . . . . 74.310000000000002 109.047 174.212 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.26 137.13 42.25 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.774 -0.648 . . . . 75.450000000000003 109.649 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.3 ptt85 -94.92 100.99 12.75 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.582 0.706 . . . . 55.329999999999998 109.747 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.466 ' O ' HG22 ' A' ' 15' ' ' VAL . 90.1 m-85 -84.37 169.23 14.83 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.433 -0.803 . . . . 73.209999999999994 109.712 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 p -101.06 149.8 36.54 Favored Pre-proline 0 C--N 1.317 -0.843 0 N-CA-C 109.664 -0.495 . . . . 72.420000000000002 109.664 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.503 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 59.0 Cg_endo -70.84 15.3 0.3 Allowed 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 122.724 2.283 . . . . 51.420000000000002 113.191 -178.119 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -83.45 -35.61 24.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.84 0.352 . . . . 63.32 111.158 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 58.8 ttp -78.46 138.54 38.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.241 -0.436 . . . . 74.129999999999995 110.464 -175.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 m -93.01 155.79 17.31 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.143 -0.317 . . . . 65.349999999999994 110.143 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.591 ' HB ' ' HA ' ' A' ' 75' ' ' ASP . 28.4 t -65.91 -31.96 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.71 0.767 . . . . 64.019999999999996 109.797 177.455 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -57.9 -34.22 69.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.993 -1.003 . . . . 60.420000000000002 111.016 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.95 82.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.002 -0.545 . . . . 74.420000000000002 111.892 -176.347 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 39' ' ' VAL . 10.2 p -67.31 -33.65 64.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.863 -0.335 . . . . 55.340000000000003 110.98 -177.517 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -58.69 -55.11 39.37 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.117 0.484 . . . . 75.140000000000001 110.188 175.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.01 -40.43 80.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.348 -0.842 . . . . 53.140000000000001 111.18 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.442 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 25.2 ttmt -70.58 -35.73 73.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.11 -0.495 . . . . 74.540000000000006 111.236 -176.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 42' ' ' VAL . 94.8 mt -68.73 -36.97 79.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.964 0.412 . . . . 53.200000000000003 110.259 175.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 26.4 t90 -64.22 -26.38 68.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.697 -0.683 . . . . 74.209999999999994 110.461 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -85.25 -41.28 15.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.281 -0.418 . . . . 74.549999999999997 110.734 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -67.9 -56.18 10.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.873 -0.603 . . . . 74.409999999999997 111.684 -175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.4 m -92.81 -22.45 19.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.387 -0.37 . . . . 71.209999999999994 110.971 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.67 27.2 73.6 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.675 -0.774 . . . . 52.240000000000002 112.41 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.4 m -124.22 147.56 47.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.167 -0.308 . . . . 64.540000000000006 110.167 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.5 m -64.61 136.98 57.56 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.225 0.328 . . . . 63.200000000000003 110.835 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.3 m -80.34 0.39 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.953 0.406 . . . . 73.519999999999996 111.405 -177.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -80.39 32.06 0.29 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.742 0.782 . . . . 75.219999999999999 110.218 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.543 ' HA ' HD12 ' A' ' 95' ' ' LEU . 47.3 m -147.61 19.94 1.17 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.559 0.695 . . . . 54.439999999999998 109.302 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.6 ttp -151.61 101.0 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.226 -0.897 . . . . 55.240000000000002 109.401 -177.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.45 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -87.28 142.78 27.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.115 -0.493 . . . . 64.209999999999994 111.27 -174.322 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -101.31 102.48 13.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.093 -0.503 . . . . 74.219999999999999 109.982 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.994 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 6.3 mm-40 -90.42 110.82 21.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.83 -0.623 . . . . 74.120000000000005 110.378 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.583 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 54.0 tp -84.07 107.11 16.22 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.51 -0.552 . . . . 52.119999999999997 109.51 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.468 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 2.0 m-85 -83.47 120.49 25.98 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.855 -0.611 . . . . 72.310000000000002 111.328 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.87 138.66 35.68 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.69 -1.226 . . . . 75.310000000000002 107.69 168.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -97.98 -0.96 43.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.134 0.493 . . . . 73.430000000000007 111.03 -171.22 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.0 t -84.98 -38.64 19.03 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.029 -0.73 . . . . 53.420000000000002 109.029 175.26 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.98 -91.15 1.77 Allowed Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.577 -0.738 . . . . 62.340000000000003 111.521 174.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.2 m -165.95 -62.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.768 0.318 . . . . 75.319999999999993 111.477 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HE2' ' OE2' ' A' ' 60' ' ' GLU . 42.6 tttm -131.03 125.67 33.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.491 -0.322 . . . . 54.439999999999998 111.473 -168.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.583 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 25.2 m -138.91 145.56 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.735 -0.468 . . . . 75.049999999999997 109.735 175.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.64 107.59 0.07 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.294 -0.412 . . . . 72.420000000000002 111.004 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.9 t -78.5 -53.87 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.149 -0.686 . . . . 60.25 109.149 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.6 tp 71.65 8.42 6.16 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.113 -0.949 . . . . 63.100000000000001 111.101 173.353 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.9 t -94.62 -15.9 23.63 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.683 -1.228 . . . . 73.409999999999997 107.683 169.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -84.76 -8.9 58.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.903 -1.499 . . . . 72.25 110.953 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.591 ' HA ' ' HB ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -64.46 -28.75 69.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 72.430000000000007 110.393 -177.735 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.1 m -88.9 4.03 49.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.793 -0.64 . . . . 63.210000000000001 110.48 -177.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.4 mmm-85 -119.19 168.79 9.21 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.174 -0.676 . . . . 61.240000000000002 109.174 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -62.79 145.74 94.89 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.985 1.79 . . . . 74.129999999999995 110.944 173.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.707 HD21 HD11 ' A' ' 17' ' ' LEU . 22.5 tp -60.02 -26.47 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.953 0.406 . . . . 75.530000000000001 110.879 -177.029 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.503 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -74.7 -10.29 83.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.988 -0.625 . . . . 73.409999999999997 112.902 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -73.54 -38.71 65.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.108 0.48 . . . . 73.430000000000007 109.73 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -89.76 -40.55 12.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.76 -0.655 . . . . 72.150000000000006 109.573 175.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 t 63.94 80.32 0.24 Allowed Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 115.447 -0.797 . . . . 53.450000000000003 111.813 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.406 ' HB2' HD21 ' A' ' 17' ' ' LEU . 2.9 Cg_exo -77.01 130.69 11.47 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.881 2.387 . . . . 61.310000000000002 111.078 174.265 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -94.78 -173.45 3.0 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.07 0.462 . . . . 72.129999999999995 111.51 -174.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -70.5 -11.24 60.8 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.508 -0.769 . . . . 61.149999999999999 112.558 -172.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.37 -2.17 80.21 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.678 -0.772 . . . . 45.219999999999999 112.685 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -99.51 145.97 26.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.268 0.556 . . . . 74.219999999999999 111.67 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.654 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 77.9 mtt180 -128.09 145.92 50.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.774 -0.648 . . . . 74.430000000000007 109.973 178.291 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.516 HD11 HD13 ' A' ' 17' ' ' LEU . 83.9 mt -100.85 106.13 17.47 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.161 -0.311 . . . . 71.340000000000003 110.161 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.994 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 9.4 t-160 -94.78 105.14 17.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.03 0.443 . . . . 54.409999999999997 110.31 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -79.15 108.68 13.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 74.409999999999997 110.201 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.45 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 31.4 mm -81.86 124.59 39.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.972 0.415 . . . . 61.439999999999998 110.999 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 22' ' ' ALA . 37.3 m-20 -93.1 121.08 34.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.71 -0.677 . . . . 74.319999999999993 109.744 177.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 56' ' ' SER . 94.2 mt -101.87 -157.31 0.6 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.393 -0.595 . . . . 72.0 109.393 175.531 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -97.14 117.07 66.08 Favored Pre-proline 0 C--N 1.323 -0.571 0 C-N-CA 121.016 -0.273 . . . . 72.409999999999997 110.283 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 C--O 1.246 0.917 0 C-N-CA 123.137 2.558 . . . . 73.519999999999996 112.096 -179.167 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 t70 . . . . . 0 C--O 1.234 0.264 0 N-CA-C 108.236 -1.024 . . . . 71.439999999999998 108.236 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.509 ' HB3' ' O ' ' A' ' 33' ' ' PHE . 28.1 m 61.52 -172.18 0.15 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 123.406 0.441 . . . . 73.239999999999995 111.023 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -114.94 143.01 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.872 0.368 . . . . 62.240000000000002 110.353 177.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 86' ' ' ASP . 0.1 OUTLIER -98.36 94.59 6.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.059 -0.519 . . . . 73.239999999999995 110.982 179.003 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.98 121.53 38.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.651 -0.704 . . . . 73.219999999999999 109.592 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.877 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 37.8 m-70 -87.79 116.34 25.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.476 -0.329 . . . . 62.409999999999997 110.252 -178.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.0 mt -81.82 116.98 27.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.973 -0.558 . . . . 72.150000000000006 110.284 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.545 ' OG1' ' HA ' ' A' ' 91' ' ' HIS . 40.9 p -118.8 137.13 53.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.156 -0.475 . . . . 74.030000000000001 110.524 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -95.17 131.8 40.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.133 -0.692 . . . . 75.010000000000005 109.133 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HA ' ' NE2' ' A' ' 91' ' ' HIS . . . -56.11 -44.92 79.57 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.142 0.423 . . . . 71.420000000000002 112.142 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -75.32 -18.6 59.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.266 -0.424 . . . . 62.149999999999999 111.875 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.9 mt -130.4 97.55 4.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.916 0.339 . . . . 75.120000000000005 111.916 -173.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -66.71 -24.34 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.035 0.445 . . . . 74.340000000000003 110.475 176.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 m -66.19 -26.19 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.942 -0.572 . . . . 73.150000000000006 110.785 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -88.06 102.43 14.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.185 -0.461 . . . . 73.209999999999994 109.973 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -145.52 63.2 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.725 -0.671 . . . . 75.030000000000001 109.978 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.25 134.37 34.14 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.781 -0.645 . . . . 43.25 110.657 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.454 ' HA ' ' HA ' ' A' ' 18' ' ' HIS . 5.7 p-10 -81.14 129.84 34.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.099 0.476 . . . . 75.329999999999998 109.836 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.19 160.63 18.06 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 116.056 -0.52 . . . . 72.25 109.68 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -116.06 118.93 34.26 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.341 0.591 . . . . 64.430000000000007 110.126 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.509 ' O ' ' HB3' ' A' ' 14' ' ' SER . 90.6 m-85 -127.27 153.71 45.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.838 -0.619 . . . . 65.230000000000004 110.015 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 p -96.92 117.75 65.56 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 116.138 -0.483 . . . . 74.510000000000005 109.959 176.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.79 -5.14 6.86 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.999 2.466 . . . . 74.200000000000003 113.254 -176.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -69.12 -19.8 64.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.858 0.361 . . . . 75.400000000000006 110.198 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.9 ttt -88.94 136.63 32.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.86 -0.609 . . . . 64.349999999999994 110.306 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.5 m -79.58 139.99 37.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.266 -0.424 . . . . 70.219999999999999 110.628 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.48 -27.19 42.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.248 0.547 . . . . 72.209999999999994 110.568 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.606 ' HA ' ' NZ ' ' A' ' 43' ' ' LYS . 6.0 tp10 -59.19 -32.43 69.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.776 -0.647 . . . . 74.030000000000001 111.059 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.33 4.16 53.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.866 0.365 . . . . 70.510000000000005 111.313 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.2 t -97.61 -30.74 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.477 -0.329 . . . . 61.420000000000002 111.051 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.606 ' NZ ' ' HA ' ' A' ' 40' ' ' GLU . 59.2 mttp -56.12 -57.01 14.0 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.058 -0.519 . . . . 70.450000000000003 112.039 -174.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.12 -38.82 92.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.42 -0.354 . . . . 74.25 111.004 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.38 -42.94 99.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 71.040000000000006 110.853 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.42 -40.7 89.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 73.099999999999994 110.467 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -61.04 -46.6 90.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.657 -0.701 . . . . 74.430000000000007 111.036 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -79.0 -6.35 56.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.363 -0.38 . . . . 72.140000000000001 111.187 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -90.64 -50.68 5.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.407 -0.36 . . . . 73.239999999999995 110.705 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.7 t -170.08 -24.76 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.227 -0.442 . . . . 71.409999999999997 111.677 -174.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.26 172.33 38.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.896 -0.668 . . . . 45.119999999999997 112.668 -178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 p -90.13 -175.31 4.5 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.567 0.222 . . . . 65.340000000000003 111.193 -178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -57.69 134.04 55.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 62.530000000000001 111.341 -175.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.82 88.86 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.104 0.478 . . . . 74.040000000000006 109.9 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.6 t30 178.36 -58.88 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.066 -0.97 . . . . 71.319999999999993 109.015 -175.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.95 -13.13 36.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.956 -1.02 . . . . 74.109999999999999 110.475 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.9 ttp -98.03 101.95 13.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.652 -0.704 . . . . 64.319999999999993 109.926 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.549 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -99.82 145.87 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.86 0.362 . . . . 52.229999999999997 111.189 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.7 mt -108.93 96.18 6.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.274 -0.421 . . . . 75.340000000000003 110.523 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -102.18 111.14 23.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.07 0.462 . . . . 75.140000000000001 110.95 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.728 ' H ' ' HB2' ' A' ' 70' ' ' ALA . 41.7 tp -82.41 110.09 17.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.903 -0.59 . . . . 71.140000000000001 110.233 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -89.09 140.12 29.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.971 -0.559 . . . . 62.25 110.876 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.464 ' HB2' HG13 ' A' ' 69' ' ' VAL . 27.5 t70 -82.09 78.46 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.051 -0.722 . . . . 75.310000000000002 109.051 173.565 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 70.55 -65.69 0.32 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.545 -1.207 . . . . 74.109999999999999 111.13 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -168.62 120.09 0.78 Allowed 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 123.858 0.863 . . . . 32.219999999999999 108.95 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.79 141.98 3.08 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.563 -0.827 . . . . 74.340000000000003 111.306 -175.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m 62.92 103.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.627 0.727 . . . . 71.140000000000001 111.102 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 pttp -91.63 132.52 36.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.926 -0.579 . . . . 74.049999999999997 109.774 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.464 HG13 ' HB2' ' A' ' 63' ' ' ASP . 29.7 m -98.84 9.98 7.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.329 0.585 . . . . 60.109999999999999 110.838 -174.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.728 ' HB2' ' H ' ' A' ' 61' ' ' LEU . . . -84.27 87.02 7.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.758 -0.655 . . . . 75.439999999999998 110.813 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.6 p -89.38 -21.44 6.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.985 -0.552 . . . . 74.400000000000006 110.397 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 56.14 80.94 0.13 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.688 -0.687 . . . . 62.530000000000001 111.033 -176.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.3 t -138.42 -36.17 0.58 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.437 -0.802 . . . . 71.430000000000007 109.69 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.24 26.28 9.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.465 0.65 . . . . 72.209999999999994 109.675 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.462 ' CG ' ' HZ1' ' A' ' 43' ' ' LYS . 12.2 t70 -59.83 -42.41 93.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.874 -1.057 . . . . 72.0 111.407 -178.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.1 m -96.12 17.34 15.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 111.431 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -110.25 160.2 29.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.09 -0.337 . . . . 75.219999999999999 110.09 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.88 106.86 1.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.334 2.023 . . . . 74.129999999999995 111.268 173.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.481 ' O ' HD13 ' A' ' 79' ' ' LEU . 1.5 tm? -61.72 -32.53 72.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 73.040000000000006 110.417 -176.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.54 -14.92 60.9 Favored Glycine 0 CA--C 1.518 0.256 0 CA-C-N 115.867 -0.606 . . . . 75.209999999999994 112.872 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -78.74 -31.69 46.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.055 0.455 . . . . 72.430000000000007 109.879 175.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -78.04 -74.47 0.26 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.747 -0.66 . . . . 74.420000000000002 109.928 -178.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.9 m -162.32 129.83 2.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 73.209999999999994 111.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -83.68 126.72 4.1 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.237 1.958 . . . . 70.200000000000003 111.431 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -146.75 162.09 39.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.853 0.359 . . . . 71.409999999999997 111.593 -176.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.529 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . 4.6 p-10 -141.67 146.62 36.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 65.319999999999993 109.749 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.82 -31.48 3.91 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.424 -0.893 . . . . 72.230000000000004 112.221 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.565 ' HB3' HD11 ' A' ' 61' ' ' LEU . 74.5 m-85 -66.5 146.89 54.03 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.913 0.387 . . . . 61.119999999999997 110.163 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.877 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 56.4 mtm180 -119.51 127.61 53.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.035 0.445 . . . . 74.230000000000004 111.141 -176.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.7 mt -82.0 108.83 15.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.51 -0.768 . . . . 74.519999999999996 109.892 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.545 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 5.7 t-160 -92.16 96.35 10.27 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.863 -0.791 . . . . 71.200000000000003 108.863 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.76 111.82 3.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.876 -0.602 . . . . 74.530000000000001 110.303 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.549 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 42.8 mm -93.0 78.81 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.997 -0.742 . . . . 63.240000000000002 108.997 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -90.63 99.8 12.76 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.651 0.739 . . . . 61.539999999999999 109.753 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.525 ' HG ' HG22 ' A' ' 93' ' ' ILE . 86.5 mt -103.84 21.51 16.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.493 -0.776 . . . . 73.439999999999998 110.775 -175.813 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 4.7 m-20 -55.78 136.89 71.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.105 -0.498 . . . . 71.409999999999997 110.722 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 50.9 Cg_exo . . . . . 0 C--O 1.246 0.887 0 C-N-CA 123.294 2.663 . . . . 62.340000000000003 112.572 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 108.818 -0.808 . . . . 71.530000000000001 108.818 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.768 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 55.8 m -152.61 161.57 42.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.475 -0.329 . . . . 52.350000000000001 110.633 -175.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 m -95.5 169.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.128 -0.487 . . . . 72.329999999999998 110.502 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -122.48 84.04 2.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.471 -0.331 . . . . 63.32 110.151 -176.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 33' ' ' PHE . 86.2 mt -76.74 110.46 11.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.071 0.462 . . . . 64.25 110.146 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.406 ' HB2' ' HD3' ' A' ' 89' ' ' ARG . 59.4 m-70 -85.15 102.83 13.6 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.84 -0.618 . . . . 74.430000000000007 110.29 -175.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.516 HD13 ' HB2' ' A' ' 90' ' ' LEU . 51.3 mm -88.03 122.59 39.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.058 -0.519 . . . . 52.030000000000001 110.405 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 m -139.22 125.09 19.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.35 -0.386 . . . . 52.130000000000003 110.705 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.412 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 7.7 m-70 -84.57 160.84 20.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.5 -0.318 . . . . 73.129999999999995 110.61 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.59 -27.49 15.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.205 0.526 . . . . 44.210000000000001 109.76 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.11 -53.13 10.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.5 -0.773 . . . . 72.409999999999997 109.807 176.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.46 101.51 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.849 -0.614 . . . . 72.409999999999997 109.482 176.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -77.47 -21.56 52.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.078 -0.51 . . . . 72.150000000000006 111.519 -175.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.6 m -97.28 9.96 40.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.18 0.514 . . . . 75.400000000000006 110.569 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -94.21 93.0 7.52 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.367 -0.605 . . . . 74.200000000000003 109.367 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.8 m -113.68 99.53 7.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.809 -0.632 . . . . 63.509999999999998 110.341 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.37 127.19 50.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.057 -0.519 . . . . 73.230000000000004 109.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -100.87 105.06 16.3 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.142 0.496 . . . . 71.439999999999998 109.82 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.52 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -93.5 100.04 12.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.597 -0.729 . . . . 71.099999999999994 111.05 -175.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 32' ' ' ARG . 4.4 ptm180 -87.36 122.3 30.94 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.802 -0.636 . . . . 71.109999999999999 109.94 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.52 ' CE2' ' HB1' ' A' ' 31' ' ' ALA . 67.9 m-85 -133.67 139.43 46.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.906 -0.588 . . . . 75.409999999999997 110.448 -179.348 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 22.3 m -69.45 136.09 88.56 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.365 -0.606 . . . . 61.020000000000003 109.365 174.518 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.768 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 6.1 Cg_exo -72.61 77.07 2.25 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.512 2.141 . . . . 34.329999999999998 112.576 -175.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -176.29 74.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.962 -0.563 . . . . 74.25 109.939 173.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.5 ttt -153.15 147.02 25.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.964 -0.562 . . . . 70.549999999999997 109.841 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -86.18 134.84 33.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.968 0.413 . . . . 73.310000000000002 110.356 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.517 HG11 HD21 ' A' ' 72' ' ' LEU . 36.3 t -64.07 -29.89 48.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.535 . . . . 72.340000000000003 110.627 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.62 -29.27 69.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.812 -0.631 . . . . 71.329999999999998 110.855 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.23 -44.11 31.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 53.43 111.136 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.55 -36.35 70.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 120.808 -0.357 . . . . 73.040000000000006 110.808 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -61.39 -37.4 83.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.952 0.406 . . . . 74.319999999999993 110.513 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.406 ' HG2' ' HE3' ' A' ' 48' ' ' LYS . 36.4 tt0 -65.02 -41.55 95.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.202 -0.454 . . . . 73.200000000000003 110.974 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -67.46 -31.92 72.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.487 -0.324 . . . . 75.329999999999998 110.378 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.5 mt -72.83 -39.4 66.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 72.129999999999995 110.196 175.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -57.63 -38.37 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.699 -0.682 . . . . 73.430000000000007 110.569 177.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HE3' ' HG2' ' A' ' 44' ' ' GLU . 99.4 mttt -67.35 -5.23 13.52 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.839 -0.619 . . . . 74.340000000000003 112.345 -178.226 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -81.67 -42.96 19.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.867 0.365 . . . . 70.430000000000007 110.901 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.7 p -110.6 -25.47 9.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.292 -0.413 . . . . 72.540000000000006 111.647 -177.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.99 25.71 63.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.675 -0.774 . . . . 44.140000000000001 111.561 -176.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.3 m -142.84 138.29 30.21 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.46 -0.57 . . . . 62.25 109.46 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.5 m -59.75 138.14 57.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.916 0.388 . . . . 72.099999999999994 111.282 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.3 t -70.66 108.59 2.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 72.329999999999998 109.87 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -139.64 -32.47 0.64 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.076 -0.511 . . . . 54.140000000000001 111.325 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.8 p -81.09 -59.85 2.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.867 0.365 . . . . 64.129999999999995 111.115 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.5 ttm -67.22 120.5 13.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 64.540000000000006 110.573 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.511 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -89.2 140.23 29.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.3 -0.409 . . . . 73.299999999999997 111.319 -175.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.7 mt -113.64 118.1 33.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.975 -0.557 . . . . 74.140000000000001 109.588 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -109.78 135.32 50.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.942 0.401 . . . . 65.409999999999997 111.418 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.672 ' HB3' ' HA ' ' A' ' 70' ' ' ALA . 65.9 tp -101.79 109.21 20.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.481 -0.781 . . . . 74.200000000000003 109.759 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.456 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 63.2 m-85 -110.15 133.47 53.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.206 0.527 . . . . 74.109999999999999 111.795 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.807 ' HB3' ' HB2' ' A' ' 67' ' ' SER . 6.8 t70 -86.95 118.22 26.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.331 -0.849 . . . . 74.349999999999994 109.587 174.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 70.08 -63.73 0.38 Allowed 'General case' 0 C--O 1.235 0.291 0 O-C-N 124.211 0.944 . . . . 62.109999999999999 110.817 -177.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.7 m -164.79 -65.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.89 -0.596 . . . . 71.099999999999994 111.237 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.0 -13.68 52.02 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.566 -0.826 . . . . 55.5 114.104 -170.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.807 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 15.7 m -74.4 106.32 5.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.237 0.519 . . . . 75.129999999999995 110.601 -178.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -82.21 89.95 6.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.033 0.444 . . . . 61.009999999999998 109.91 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.1 m -111.27 40.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.929 -0.578 . . . . 75.319999999999993 110.869 -175.594 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.672 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -70.26 93.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.838 -0.619 . . . . 62.240000000000002 111.388 -177.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.5 p -146.23 119.05 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.965 -0.561 . . . . 73.140000000000001 110.202 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.517 HD21 HG11 ' A' ' 39' ' ' VAL . 59.9 tp -146.24 119.32 8.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.074 -0.512 . . . . 74.310000000000002 110.169 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -122.31 -24.05 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.277 -0.42 . . . . 73.540000000000006 110.861 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.725 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -96.06 52.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.074 0.464 . . . . 55.549999999999997 111.096 -178.501 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.411 ' HA ' ' HB ' ' A' ' 39' ' ' VAL . 3.4 m-20 -57.65 -38.85 75.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.447 0.642 . . . . 54.509999999999998 110.885 177.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 p -90.35 21.73 3.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.702 -0.681 . . . . 64.439999999999998 111.564 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.725 ' HB2' ' HB2' ' A' ' 74' ' ' ASP . 13.9 mmt180 -125.16 154.8 71.72 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.18 -0.464 . . . . 73.299999999999997 110.531 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.563 ' O ' ' HD1' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -71.59 121.59 7.83 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.563 2.175 . . . . 71.219999999999999 112.211 178.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -53.94 -19.8 5.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.094 -0.503 . . . . 74.329999999999998 111.756 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.41 -31.83 77.82 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.005 -0.616 . . . . 73.109999999999999 113.481 -177.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' PHE . . . . . 0.563 ' HD1' ' O ' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -83.69 -13.33 54.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.43 0.615 . . . . 74.120000000000005 110.265 -177.0 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -77.83 -23.98 48.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.8 -0.636 . . . . 71.450000000000003 110.482 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m 64.79 90.78 0.08 OUTLIER Pre-proline 0 C--O 1.234 0.246 0 CA-C-N 115.839 -0.619 . . . . 74.219999999999999 110.793 -176.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.26 164.42 26.74 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.666 2.244 . . . . 73.329999999999998 112.579 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -73.81 -68.7 0.49 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.964 -0.562 . . . . 72.209999999999994 110.266 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -174.07 -68.63 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.231 0.539 . . . . 72.140000000000001 109.981 175.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.59 97.04 0.2 Allowed Glycine 0 N--CA 1.439 -1.16 0 C-N-CA 120.679 -0.772 . . . . 65.219999999999999 112.515 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -81.05 163.14 23.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.803 0.335 . . . . 74.040000000000006 110.209 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.456 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 23.0 mmt180 -95.38 98.54 10.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.11 -0.495 . . . . 74.099999999999994 110.575 177.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.516 ' HB2' HD13 ' A' ' 19' ' ' ILE . 91.2 mt -85.15 83.79 7.9 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.881 -0.785 . . . . 72.310000000000002 108.881 175.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -87.83 100.64 13.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.381 -0.827 . . . . 72.510000000000005 110.003 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 72.2 mt -69.02 115.34 7.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.304 -0.862 . . . . 75.030000000000001 110.274 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.511 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 43.9 mm -83.03 102.63 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.98 -0.555 . . . . 72.209999999999994 109.503 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 13.0 m-20 -70.27 88.52 0.63 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.918 -0.583 . . . . 74.400000000000006 110.441 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -83.95 12.38 6.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.558 -0.746 . . . . 73.430000000000007 109.935 178.822 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -113.67 93.5 28.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.333 -0.849 . . . . 70.219999999999999 109.762 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 C--O 1.246 0.915 0 C-N-CA 123.187 2.591 . . . . 70.439999999999998 111.919 -178.616 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 109.936 -0.394 . . . . 72.310000000000002 109.936 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.0 m -155.52 165.93 35.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.155 -0.475 . . . . 52.509999999999998 109.863 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.65 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 19.3 m -92.17 126.31 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.84 -0.43 . . . . 62.130000000000003 109.84 176.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -90.43 89.15 7.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.128 0.489 . . . . 45.109999999999999 110.931 -174.486 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -88.75 108.12 19.32 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.026 -0.534 . . . . 75.209999999999994 110.064 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -79.76 125.23 29.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.873 0.368 . . . . 71.209999999999994 110.775 -174.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.467 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 65.7 mt -85.5 121.93 37.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.107 -0.497 . . . . 74.120000000000005 110.294 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 91' ' ' HIS . 21.2 m -111.21 105.5 14.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.068 0.461 . . . . 72.519999999999996 109.887 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 9.6 t-160 -82.53 147.99 28.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.005 -0.543 . . . . 73.430000000000007 109.669 -177.548 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.8 -63.93 1.07 Allowed 'General case' 0 C--O 1.233 0.209 0 N-CA-C 111.674 0.25 . . . . 65.109999999999999 111.674 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -64.15 -48.03 77.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 74.230000000000004 110.837 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 8.4 mp -88.02 91.63 8.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.349 -0.612 . . . . 72.409999999999997 109.349 175.561 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -64.81 -39.04 92.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.583 -0.735 . . . . 72.129999999999995 112.289 -173.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.5 m -97.89 79.93 2.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.198 0.523 . . . . 61.420000000000002 110.611 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 29' ' ' ALA . 35.7 t80 -98.29 95.16 7.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.882 -0.784 . . . . 62.240000000000002 108.882 177.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.9 m -85.45 79.19 9.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.949 -0.568 . . . . 73.25 111.12 -176.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . . . -159.9 112.84 2.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.803 -0.635 . . . . 53.509999999999998 110.805 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -94.51 130.73 40.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.708 -0.478 . . . . 65.319999999999993 109.708 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.421 ' HB1' ' HE2' ' A' ' 33' ' ' PHE . . . -86.93 87.39 7.45 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.493 -0.558 . . . . 73.439999999999998 109.493 177.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.65 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 8.5 ptp180 -88.71 114.1 24.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.391 0.615 . . . . 73.140000000000001 110.696 -177.397 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.421 ' HE2' ' HB1' ' A' ' 31' ' ' ALA . 96.0 m-85 -124.12 161.59 25.31 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.698 -0.683 . . . . 71.209999999999994 109.798 177.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.461 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 19.6 m -55.65 135.63 71.44 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.213 -0.448 . . . . 74.049999999999997 110.728 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 37.3 Cg_exo -61.57 -12.8 26.26 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.885 2.39 . . . . 65.310000000000002 112.328 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 78' ' ' PRO . 69.6 mt-30 -88.2 -3.52 58.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.992 -0.549 . . . . 73.5 111.058 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.7 ttt -83.82 139.89 32.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.213 -0.449 . . . . 73.519999999999996 111.037 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.438 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 9.4 p -101.56 162.34 12.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.709 -0.678 . . . . 71.349999999999994 110.12 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.515 ' O ' HG12 ' A' ' 42' ' ' VAL . 8.7 p -69.38 -13.93 17.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 121.415 0.626 . . . . 73.400000000000006 110.494 -177.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.09 -33.29 68.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.769 -0.651 . . . . 54.100000000000001 110.84 176.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.43 8.43 5.13 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.604 0.594 . . . . 75.230000000000004 112.604 -171.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 39' ' ' VAL . 7.4 p -122.53 -12.08 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.681 -0.408 . . . . 75.340000000000003 110.81 177.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -62.54 -58.83 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.245 0.545 . . . . 65.549999999999997 111.305 -175.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -73.19 -26.72 61.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.552 -0.749 . . . . 70.340000000000003 110.392 -177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 30.5 ttmt -66.06 -43.59 87.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.286 -0.87 . . . . 74.109999999999999 110.692 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.5 mt -74.88 -33.52 62.08 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.964 0.412 . . . . 64.420000000000002 110.514 177.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -58.45 -46.58 86.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.705 -0.679 . . . . 62.350000000000001 111.211 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -82.46 0.42 42.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.83 0.348 . . . . 75.329999999999998 111.294 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.532 ' HG2' ' SG ' ' A' ' 50' ' ' CYS . 56.3 tttp -88.05 -61.05 1.8 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.361 -0.381 . . . . 75.549999999999997 110.965 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.532 ' SG ' ' HG2' ' A' ' 49' ' ' LYS . 63.3 m -112.54 6.58 18.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.724 0.268 . . . . 73.230000000000004 111.724 -174.66 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.12 48.58 85.41 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.74 -0.743 . . . . 40.43 112.211 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.6 t -133.25 158.99 41.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.707 0.289 . . . . 65.019999999999996 110.421 -175.745 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.0 m -96.18 149.19 21.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.117 -0.492 . . . . 74.239999999999995 109.997 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.9 m -65.5 -16.21 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 73.030000000000001 111.539 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -81.41 -19.14 43.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.399 0.619 . . . . 63.420000000000002 109.997 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 m -91.18 2.39 56.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.896 -0.593 . . . . 52.420000000000002 110.271 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 ttt -122.5 97.84 5.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.559 -0.746 . . . . 71.120000000000005 109.759 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.542 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -72.93 111.44 8.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.14 0.495 . . . . 74.25 111.198 -176.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.412 ' CD2' HG12 ' A' ' 92' ' ' ILE . 95.6 mt -113.6 107.52 15.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.705 -0.679 . . . . 65.219999999999999 110.82 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.665 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 51.8 mt-10 -91.73 95.44 9.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.027 0.442 . . . . 74.230000000000004 110.156 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.519 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 65.2 tp -79.56 100.44 7.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.767 -0.651 . . . . 74.409999999999997 110.823 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.581 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 24.1 m-85 -90.75 160.3 15.88 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.652 -0.499 . . . . 64.25 109.652 176.232 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -61.51 -47.41 85.72 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.42 -0.585 . . . . 64.310000000000002 109.42 171.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.744 ' HA ' ' HG2' ' A' ' 89' ' ' ARG . 31.3 t70 161.22 -34.86 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 125.029 1.331 . . . . 71.030000000000001 107.74 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -76.01 -42.21 48.71 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.585 -1.188 . . . . 62.340000000000003 110.388 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.68 -1.74 0.62 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.197 -1.002 . . . . 75.109999999999999 113.131 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.9 m -88.56 125.1 34.63 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.566 -0.531 . . . . 55.140000000000001 109.566 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 24.2 pttm -69.36 123.74 22.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.361 0.6 . . . . 74.5 110.218 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -109.23 15.79 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.808 -0.633 . . . . 71.049999999999997 110.593 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -80.25 77.77 6.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.605 -0.725 . . . . 75.219999999999999 111.133 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.6 -30.42 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.879 -0.6 . . . . 74.409999999999997 109.519 174.28 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 54.02 72.75 0.43 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 114.984 -1.007 . . . . 55.299999999999997 111.465 176.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 t -133.67 1.6 3.38 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.879 0.847 . . . . 52.409999999999997 108.786 171.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -116.78 23.54 11.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.745 -1.116 . . . . 61.350000000000001 109.829 -173.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.488 ' HA ' HG12 ' A' ' 39' ' ' VAL . 7.0 p-10 -54.26 -43.53 71.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.476 -0.784 . . . . 71.439999999999998 111.993 -175.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.13 26.83 9.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.084 -0.507 . . . . 54.350000000000001 110.834 -177.099 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -130.34 154.66 81.54 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 62.409999999999997 110.501 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.441 ' HB3' ' HA ' ' A' ' 36' ' ' GLN . 37.4 Cg_endo -67.56 129.53 20.25 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.5 2.134 . . . . 70.120000000000005 112.093 177.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.538 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 56.6 tp -63.86 -32.15 73.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 64.150000000000006 111.166 -178.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.2 -18.65 69.46 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 116.205 -0.452 . . . . 64.400000000000006 112.783 -177.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -76.63 -26.21 54.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.104 0.478 . . . . 74.219999999999999 110.279 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -75.21 -26.71 59.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 64.340000000000003 110.748 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 t 64.19 71.0 0.62 Allowed Pre-proline 0 CA--C 1.532 0.28 0 CA-C-O 121.343 0.592 . . . . 64.310000000000002 109.843 -174.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.538 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 66.0 Cg_endo -98.18 -172.11 0.15 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.435 2.757 . . . . 74.450000000000003 113.345 -176.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -89.18 130.56 35.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.522 -0.763 . . . . 74.310000000000002 109.829 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -83.9 91.64 7.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.239 0.542 . . . . 72.540000000000006 110.783 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 142.01 50.42 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.66 -0.781 . . . . 73.230000000000004 112.762 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -77.05 167.48 21.73 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.751 0.31 . . . . 73.409999999999997 110.746 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.744 ' HG2' ' HA ' ' A' ' 64' ' ' ASP . 13.4 mmt180 -111.62 110.78 21.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.208 -0.451 . . . . 63.039999999999999 111.07 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 19' ' ' ILE . 94.2 mt -90.23 86.87 6.63 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.918 -0.401 . . . . 72.319999999999993 109.918 174.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.665 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 11.3 t-80 -81.18 104.94 12.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.993 0.425 . . . . 55.509999999999998 110.444 -177.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.412 HG12 ' CD2' ' A' ' 59' ' ' LEU . 59.7 mt -88.07 112.5 23.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.601 -0.727 . . . . 42.310000000000002 110.147 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.542 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 49.0 mm -71.28 126.42 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.546 -0.538 . . . . 64.540000000000006 109.546 176.036 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.1 93.04 6.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.075 0.464 . . . . 53.32 111.099 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.43 ' H ' HD23 ' A' ' 95' ' ' LEU . 2.5 pt? -135.06 13.22 3.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.66 -0.7 . . . . 64.030000000000001 110.073 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.471 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 31.4 t70 -83.31 115.67 60.38 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.937 -0.574 . . . . 72.5 110.693 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 8.0 Cg_exo . . . . . 0 C--O 1.251 1.155 0 C-N-CA 123.415 2.743 . . . . 72.549999999999997 112.408 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 . . . . . 0 CA--C 1.514 -0.424 0 N-CA-C 109.248 -0.649 . . . . 55.310000000000002 109.248 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 m -140.71 140.02 34.81 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.72 0.295 . . . . 75.400000000000006 110.635 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.5 m -92.76 113.9 28.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.363 0.601 . . . . 63.020000000000003 109.408 173.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -84.63 90.39 7.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.787 -0.642 . . . . 55.229999999999997 110.075 -176.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.5 mt -80.49 126.58 31.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.696 -0.684 . . . . 75.319999999999993 110.412 -177.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -99.01 101.38 12.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.81 0.338 . . . . 73.209999999999994 110.736 176.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.433 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 73.7 mt -75.18 121.2 26.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.922 -0.581 . . . . 71.0 110.042 178.038 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.9 m -120.89 106.69 11.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.81 -0.632 . . . . 73.519999999999996 109.728 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.414 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 5.3 t-160 -88.57 139.01 30.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.265 -0.425 . . . . 71.420000000000002 110.185 -175.46 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.52 -71.08 0.34 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.32 0.489 . . . . 72.230000000000004 112.32 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.467 ' H ' ' HB3' ' A' ' 94' ' ' ASP . 64.2 t30 -55.39 -48.86 73.68 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.758 0.313 . . . . 62.539999999999999 110.765 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.414 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 96.7 mt -90.24 92.61 9.0 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.535 -0.542 . . . . 71.349999999999994 109.535 173.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -70.57 -32.76 70.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.929 -0.578 . . . . 54.240000000000002 111.486 -174.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.6 m -89.23 19.0 4.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.276 -0.42 . . . . 72.310000000000002 111.31 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -85.52 100.36 11.86 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.656 -0.498 . . . . 71.400000000000006 109.656 177.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p -103.58 123.01 46.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.994 -0.548 . . . . 71.340000000000003 110.879 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -150.49 101.42 2.95 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.11 -0.495 . . . . 73.420000000000002 111.032 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -101.33 105.79 16.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.663 0.744 . . . . 74.349999999999994 109.799 174.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.54 137.07 42.94 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.599 -0.728 . . . . 44.43 110.887 -175.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -105.88 116.08 31.33 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.136 -0.484 . . . . 65.010000000000005 110.24 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -117.25 171.63 7.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.971 -0.559 . . . . 73.299999999999997 110.708 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 m -74.74 137.86 73.64 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.137 -0.483 . . . . 73.310000000000002 110.452 177.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.14 163.46 31.5 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.516 2.144 . . . . 73.340000000000003 111.756 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.675 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 45.1 mt-30 66.79 24.42 9.87 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.877 -0.601 . . . . 74.209999999999994 110.62 -177.441 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.4 ttt -76.61 139.07 40.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.462 -0.79 . . . . 75.319999999999993 110.156 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -85.42 142.45 29.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.16 0.505 . . . . 71.439999999999998 110.76 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.609 ' O ' HG12 ' A' ' 42' ' ' VAL . 38.9 t -71.04 -24.26 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.87 -0.605 . . . . 74.510000000000005 111.12 -176.34 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 32.6 tt0 -62.07 -18.55 61.05 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.929 0.395 . . . . 73.340000000000003 110.975 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.91 89.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 75.420000000000002 111.046 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.0 p -80.01 -18.49 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.106 0.479 . . . . 74.430000000000007 110.255 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.58 ' O ' ' HB2' ' A' ' 47' ' ' TRP . 55.4 mmtt -64.85 -28.26 69.43 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.655 -0.702 . . . . 52.200000000000003 110.597 177.042 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -94.95 -33.18 12.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 54.340000000000003 110.497 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 1.037 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -62.55 -38.56 90.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.115 -0.493 . . . . 74.319999999999993 111.351 -174.751 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.436 ' HB2' HG11 ' A' ' 54' ' ' VAL . 94.1 mt -96.19 0.87 51.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.132 0.492 . . . . 72.239999999999995 110.823 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.58 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 5.7 t90 -79.91 3.81 18.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.959 -0.564 . . . . 72.049999999999997 110.511 -175.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -102.29 -1.7 30.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 50.439999999999998 110.534 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -99.78 -47.5 5.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.909 0.385 . . . . 75.140000000000001 110.238 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.9 p -136.47 120.27 17.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.059 -0.518 . . . . 54.219999999999999 110.859 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -82.48 6.51 68.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.089 -0.576 . . . . 74.319999999999993 112.153 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -87.79 14.0 9.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.856 0.36 . . . . 73.430000000000007 110.316 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.9 t 71.87 145.26 0.07 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.537 -0.756 . . . . 65.040000000000006 110.252 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.436 HG11 ' HB2' ' A' ' 46' ' ' LEU . 10.5 m -73.12 85.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.906 0.86 . . . . 71.420000000000002 110.894 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -127.92 -45.84 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.041 -0.981 . . . . 74.519999999999996 109.749 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 p -79.67 1.08 27.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.721 -0.672 . . . . 74.25 110.553 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.612 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 43.0 ttp -141.19 39.88 1.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.396 -0.965 . . . . 70.200000000000003 108.396 177.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.13 165.71 23.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.094 -0.957 . . . . 52.240000000000002 111.845 -175.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.437 ' CD2' HG12 ' A' ' 92' ' ' ILE . 80.3 mt -104.38 111.18 23.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.641 -0.709 . . . . 73.319999999999993 111.097 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.622 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 11.9 mm-40 -81.19 94.63 6.71 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.474 -0.565 . . . . 71.310000000000002 109.474 172.123 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.432 HD13 HD23 ' A' ' 90' ' ' LEU . 42.9 tp -83.4 108.98 16.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.182 -0.463 . . . . 72.439999999999998 110.34 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.551 ' HE1' ' HE2' ' A' ' 68' ' ' LYS . 58.9 m-85 -105.16 84.95 2.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.744 -0.662 . . . . 73.120000000000005 110.605 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -84.78 164.61 18.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.127 -0.488 . . . . 71.340000000000003 110.461 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.3 t70 62.24 21.16 12.28 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.503 -0.771 . . . . 65.409999999999997 110.126 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.4 m 78.06 -41.09 0.32 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.085 -0.961 . . . . 73.049999999999997 113.074 174.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.51 13.15 5.14 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 119.597 -1.287 . . . . 21.350000000000001 114.507 -173.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.2 m -119.75 138.0 53.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.756 0.778 . . . . 61.439999999999998 110.903 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.551 ' HE2' ' HE1' ' A' ' 62' ' ' TYR . 15.5 ptpt -92.29 129.67 38.17 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.619 -0.512 . . . . 74.319999999999993 109.619 176.784 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.5 m -122.27 16.04 5.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.224 -0.444 . . . . 73.329999999999998 111.548 -174.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.18 60.39 3.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.189 0.519 . . . . 64.450000000000003 110.928 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 p -97.81 -14.12 7.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.694 -0.685 . . . . 70.140000000000001 110.269 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 59.09 71.62 0.57 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.368 -0.833 . . . . 72.340000000000003 111.813 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 p -133.5 18.24 3.96 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.163 -1.051 . . . . 64.409999999999997 108.163 173.794 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.586 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -148.49 23.59 1.01 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.079 -1.419 . . . . 53.210000000000001 110.48 -165.252 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.52 -34.55 74.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.465 -0.789 . . . . 63.340000000000003 111.585 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.6 m -126.09 21.71 7.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.005 0.431 . . . . 72.120000000000005 110.071 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.586 ' CG ' ' HA ' ' A' ' 74' ' ' ASP . 26.8 mmm180 -88.51 134.4 34.34 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.888 -0.597 . . . . 72.430000000000007 110.709 -177.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -65.71 114.56 2.98 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.352 2.035 . . . . 51.25 111.684 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.675 ' H ' ' HA ' ' A' ' 36' ' ' GLN . 93.6 mt -61.2 -16.34 43.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 75.140000000000001 111.889 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.533 ' H ' ' HG2' ' A' ' 36' ' ' GLN . . . -70.82 -34.16 66.1 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.895 -0.669 . . . . 64.010000000000005 111.994 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -71.93 -24.95 61.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.352 0.596 . . . . 73.019999999999996 110.232 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -91.36 -2.56 57.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.576 -0.738 . . . . 63.299999999999997 110.186 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 17.7 m 69.71 111.09 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.573 -0.74 . . . . 54.030000000000001 110.09 -174.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 83' ' ' SER . 18.1 Cg_endo -58.97 139.99 93.31 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.874 2.383 . . . . 73.219999999999999 113.189 -174.57 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -101.48 142.61 32.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.863 -0.791 . . . . 55.130000000000003 108.863 175.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -89.55 10.0 24.57 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.402 0.519 . . . . 64.430000000000007 112.402 -172.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -163.55 67.81 0.22 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 119.813 -1.184 . . . . 31.149999999999999 113.513 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.423 ' HB3' HD11 ' A' ' 61' ' ' LEU . 90.7 m-85 -65.64 133.96 52.24 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.684 -0.487 . . . . 64.540000000000006 109.684 175.805 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 62' ' ' TYR . 29.1 mmt180 -104.78 101.34 10.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.068 0.461 . . . . 74.239999999999995 111.416 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.432 HD23 HD13 ' A' ' 61' ' ' LEU . 88.9 mt -93.1 95.44 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.743 -0.662 . . . . 71.230000000000004 110.441 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.622 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 10.5 t-80 -90.2 100.55 13.36 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.781 -0.452 . . . . 71.129999999999995 109.781 177.654 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.437 HG12 ' CD2' ' A' ' 59' ' ' LEU . 52.4 mt -73.42 115.6 14.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.796 -0.638 . . . . 63.43 110.331 -178.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.612 ' O ' ' HA ' ' A' ' 57' ' ' MET . 46.8 mm -72.66 91.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.23 -0.656 . . . . 74.439999999999998 109.23 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.467 ' HB3' ' H ' ' A' ' 23' ' ' ASN . 7.3 t70 -95.42 83.78 3.89 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.716 -0.675 . . . . 51.100000000000001 109.979 -176.246 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 94.4 mt -119.02 -9.56 10.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.34 -0.845 . . . . 64.340000000000003 110.462 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 13.2 t70 -72.99 119.71 77.02 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 75.549999999999997 110.447 -177.361 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 22.8 Cg_exo . . . . . 0 C--O 1.251 1.157 0 C-N-CA 123.159 2.573 . . . . 75.329999999999998 112.54 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 t70 . . . . . 0 N--CA 1.466 0.367 0 CA-C-O 121.597 0.713 . . . . 74.340000000000003 109.603 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 33' ' ' PHE . 68.2 p -72.46 129.07 37.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.283 -0.871 . . . . 42.130000000000003 111.375 -175.583 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.607 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 18.5 m -75.05 135.84 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.845 -0.616 . . . . 73.010000000000005 110.184 177.322 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.419 ' HE2' ' CG ' ' A' ' 30' ' ' ASP . 18.2 t-160 -94.22 106.74 18.72 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.953 -0.567 . . . . 71.049999999999997 110.403 -176.467 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.68 HD21 ' HD2' ' A' ' 85' ' ' PHE . 94.8 mt -107.66 157.87 17.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.833 -0.622 . . . . 74.420000000000002 110.68 -178.186 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.801 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 83.0 m-70 -125.71 100.66 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.138 -0.483 . . . . 73.109999999999999 109.866 177.28 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.598 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 61.5 mt -84.35 98.38 5.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.212 0.53 . . . . 71.319999999999993 109.889 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.8 p -88.22 121.27 30.43 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.5 -0.773 . . . . 72.349999999999994 111.539 -175.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -91.34 132.51 36.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.167 -0.679 . . . . 70.519999999999996 109.167 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.71 -37.89 22.12 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.659 0.244 . . . . 65.239999999999995 111.659 -175.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASN . . . . . 0.442 ' HB2' ' CG ' ' A' ' 94' ' ' ASP . 16.4 t-20 -56.47 -48.36 77.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.373 0.606 . . . . 70.019999999999996 109.779 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mp -121.63 96.05 4.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.527 -0.761 . . . . 75.430000000000007 109.076 173.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -67.18 -20.67 65.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.105 0.478 . . . . 72.109999999999999 110.969 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.5 t -77.04 -4.92 46.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.064 -0.516 . . . . 71.140000000000001 110.209 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -104.98 91.79 3.96 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.221 0.534 . . . . 74.430000000000007 110.105 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.7 t -108.68 109.56 20.77 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.993 -0.743 . . . . 25.02 108.993 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.598 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -77.05 100.7 5.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.11 0.481 . . . . 63.229999999999997 110.234 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.419 ' CG ' ' HE2' ' A' ' 16' ' ' HIS . 11.6 t70 -70.99 110.74 5.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.423 -0.808 . . . . 61.439999999999998 109.763 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.03 155.24 29.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.266 0.555 . . . . 70.430000000000007 111.724 -172.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.607 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 18.3 ptt180 -148.32 120.26 8.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.333 -0.848 . . . . 62.229999999999997 109.81 177.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 14' ' ' SER . 94.0 m-85 -133.67 -170.67 2.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.048 -0.523 . . . . 62.439999999999998 110.928 -176.249 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.8 p -94.71 149.7 36.85 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.134 -0.485 . . . . 64.540000000000006 110.569 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.463 ' HB3' ' HA3' ' A' ' 80' ' ' GLY . 30.3 Cg_exo -63.32 -15.92 51.27 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.756 2.304 . . . . 65.129999999999995 112.622 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -77.0 -14.46 59.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.510000000000005 110.697 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.1 ttt -67.08 125.98 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.115 0.483 . . . . 62.219999999999999 110.958 -178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.1 p -107.15 168.12 9.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.689 -0.687 . . . . 60.350000000000001 109.988 176.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.921 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 51.1 t -70.1 -32.68 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.593 -0.521 . . . . 73.310000000000002 109.593 176.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.631 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . 33.3 tt0 -56.17 -44.74 79.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.821 -0.627 . . . . 60.009999999999998 110.148 174.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.48 -46.9 87.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.478 -0.783 . . . . 60.439999999999998 111.957 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.0 p -71.04 -39.89 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 120.907 -0.317 . . . . 73.25 111.666 -176.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.631 ' HE2' ' HA ' ' A' ' 40' ' ' GLU . 47.5 mtmt -59.11 -45.66 90.31 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.33 0.586 . . . . 75.219999999999999 110.247 178.451 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.4 -35.95 71.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.335 -0.848 . . . . 75.25 110.951 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -67.64 -33.14 74.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.121 -0.49 . . . . 71.409999999999997 111.01 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.823 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 94.9 mt -77.68 -28.28 51.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.167 0.508 . . . . 52.229999999999997 110.224 177.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -70.07 -45.99 65.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.756 -0.656 . . . . 70.540000000000006 109.97 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 ptmp? -77.14 -7.46 55.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 72.200000000000003 110.6 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.683 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -77.3 -56.03 4.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 51.210000000000001 110.51 177.383 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.1 t -151.04 -59.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.314 -0.403 . . . . 64.329999999999998 110.365 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.27 30.52 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.222 -0.99 . . . . 65.230000000000004 112.555 178.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.823 ' HB ' ' HB3' ' A' ' 46' ' ' LEU . 24.4 m -91.11 84.47 5.71 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.474 0.654 . . . . 74.519999999999996 110.059 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.2 m -77.49 -9.64 59.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.298 -0.865 . . . . 51.210000000000001 111.143 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.1 t 64.6 80.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.632 -0.713 . . . . 70.200000000000003 109.438 -174.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -108.13 -75.11 0.64 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.673 -0.694 . . . . 75.239999999999995 111.118 -175.014 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 t -97.6 7.0 47.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.235 0.54 . . . . 54.340000000000003 110.175 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.0 ttp -84.16 94.55 8.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.841 -0.618 . . . . 61.119999999999997 109.831 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -74.74 128.72 36.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.91 -0.586 . . . . 72.25 110.693 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.0 mt -114.88 104.64 12.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.104 -0.498 . . . . 55.240000000000002 110.437 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.835 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 50.4 mt-10 -79.49 128.18 33.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.361 -0.382 . . . . 62.130000000000003 110.13 176.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.6 tp -91.36 101.51 14.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.304 -0.407 . . . . 74.340000000000003 110.281 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.577 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 56.3 m-85 -99.63 138.57 36.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.038 -0.528 . . . . 74.349999999999994 110.302 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -88.31 48.88 1.7 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.591 0.71 . . . . 53.119999999999997 109.475 175.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.5 t70 69.92 65.56 0.23 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 114.551 -1.204 . . . . 75.230000000000004 111.147 -176.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.5 m 56.75 21.75 6.26 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.073 -0.967 . . . . 51.310000000000002 113.376 173.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.82 -65.4 1.14 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.321 -0.942 . . . . 44.210000000000001 111.571 177.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.2 p -141.65 173.72 11.24 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.616 -0.513 . . . . 74.129999999999995 109.616 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.455 ' HE2' ' OH ' ' A' ' 62' ' ' TYR . 73.2 mttt -96.28 90.58 5.51 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.778 -0.453 . . . . 73.310000000000002 109.778 174.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.3 m -84.89 41.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.589 0.709 . . . . 70.420000000000002 110.526 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.0 80.3 4.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.393 -0.821 . . . . 15.32 111.569 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.99 104.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.409 -0.814 . . . . 52.210000000000001 109.099 171.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 39' ' ' VAL . 57.8 tp -119.48 96.82 5.36 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.608 -0.724 . . . . 65.299999999999997 110.905 -174.103 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.5 m -89.85 -50.31 6.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.997 -0.547 . . . . 71.120000000000005 110.713 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -102.24 100.72 10.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 72.530000000000001 110.115 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.921 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 11.0 p-10 -111.31 -16.3 13.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.012 0.434 . . . . 72.530000000000001 110.448 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 35.2 t -83.27 -18.43 39.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.549 0.69 . . . . 75.219999999999999 109.676 175.101 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.0 mmm-85 -88.76 143.98 32.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.243 -0.889 . . . . 73.409999999999997 109.757 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.97 115.61 3.05 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.405 2.07 . . . . 75.129999999999995 111.372 174.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.06 -36.0 74.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 72.319999999999993 111.328 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 35' ' ' PRO . . . -67.44 -17.29 68.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.148 -0.549 . . . . 71.329999999999998 113.12 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -70.16 -31.93 69.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.142 0.496 . . . . 72.299999999999997 110.077 178.361 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -91.39 -52.57 4.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.732 -0.667 . . . . 74.019999999999996 109.772 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.3 m -155.29 129.17 4.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.782 -0.645 . . . . 54.229999999999997 110.072 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.82 112.89 1.2 Allowed 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.233 1.955 . . . . 75.5 111.215 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.68 ' HD2' HD21 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -74.44 90.82 2.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.906 0.86 . . . . 72.129999999999995 110.896 -177.816 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -107.9 129.05 55.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.571 -1.195 . . . . 73.409999999999997 110.67 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.66 -6.34 65.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.045 -0.597 . . . . 63.109999999999999 113.436 173.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -61.08 132.51 54.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.455 0.645 . . . . 71.540000000000006 111.085 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.801 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 73.5 mtt180 -108.19 118.61 37.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.205 -0.907 . . . . 72.430000000000007 110.505 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.54 102.44 13.52 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.064 -0.717 . . . . 74.140000000000001 109.064 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.835 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 9.3 t-80 -88.39 102.72 15.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.908 0.385 . . . . 74.010000000000005 110.312 -177.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.7 mt -77.49 111.23 14.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.52 -0.764 . . . . 62.310000000000002 110.299 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.551 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 45.8 mm -74.78 106.2 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.064 0.459 . . . . 73.200000000000003 110.119 177.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.442 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 15.1 m-20 -85.18 88.16 7.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.992 -0.549 . . . . 73.400000000000006 110.897 -177.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 pp -96.93 4.49 51.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.466 -0.788 . . . . 74.230000000000004 109.256 171.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 19.9 t70 -100.84 119.69 57.62 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 114.555 -1.202 . . . . 55.039999999999999 109.95 -179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 15.0 Cg_exo . . . . . 0 C--O 1.249 1.031 0 C-N-CA 122.776 2.317 . . . . 54.420000000000002 111.942 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 109.166 -0.679 . . . . 71.530000000000001 109.166 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.689 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 68.4 m -159.69 145.33 15.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.669 -0.696 . . . . 52.350000000000001 110.42 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.592 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 26.3 m -92.3 135.66 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.379 -0.373 . . . . 72.329999999999998 110.513 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -78.01 83.64 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.973 0.416 . . . . 63.32 111.413 -174.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.555 HD12 ' HD2' ' A' ' 33' ' ' PHE . 93.4 mt -81.53 107.67 14.48 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.116 -0.493 . . . . 64.25 109.856 175.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -91.32 113.51 25.79 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.32 -0.4 . . . . 74.430000000000007 110.828 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.441 HD13 HD12 ' A' ' 90' ' ' LEU . 39.9 mm -74.62 113.4 13.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.596 -0.729 . . . . 52.030000000000001 109.739 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.6 m -118.92 113.73 21.49 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.864 0.364 . . . . 52.130000000000003 110.765 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.462 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 3.0 m-70 -84.08 162.32 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.196 -0.457 . . . . 73.129999999999995 110.338 176.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.38 -36.54 10.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.95 0.405 . . . . 44.210000000000001 110.092 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -71.83 -50.25 31.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.791 -0.64 . . . . 72.409999999999997 110.084 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 24' ' ' LEU . 5.7 mp -81.08 107.03 13.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.669 -0.696 . . . . 72.409999999999997 109.841 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -68.8 -33.61 74.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 72.150000000000006 111.522 -176.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.0 t -112.62 88.66 2.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.061 0.457 . . . . 75.400000000000006 109.896 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -134.63 87.05 2.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.099 -0.5 . . . . 74.200000000000003 109.989 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 m -93.21 99.25 11.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.739 -0.664 . . . . 63.509999999999998 110.112 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.92 106.0 7.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.147 -0.479 . . . . 73.230000000000004 111.16 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -87.83 116.18 25.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.83 -0.623 . . . . 71.439999999999998 109.419 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.6 78.65 1.39 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.491 -0.559 . . . . 71.099999999999994 109.491 176.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.592 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 22.0 ptt-85 -81.97 108.6 15.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.477 0.656 . . . . 71.109999999999999 110.805 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.555 ' HD2' HD12 ' A' ' 17' ' ' LEU . 96.7 m-85 -97.4 155.84 16.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.275 -0.875 . . . . 75.409999999999997 109.963 177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.448 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 15.9 m -62.46 131.84 94.08 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.048 -0.524 . . . . 61.020000000000003 110.417 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.689 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 1.5 Cg_endo -76.87 63.68 7.55 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.633 2.222 . . . . 34.329999999999998 111.802 -176.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.615 ' HA ' ' H ' ' A' ' 80' ' ' GLY . 7.4 tt0 -160.49 18.58 0.14 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.676 -0.693 . . . . 74.25 109.306 173.765 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.4 ttt -101.14 146.83 26.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.205 -0.907 . . . . 70.549999999999997 109.473 -176.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.7 m -87.33 147.48 25.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.779 0.323 . . . . 73.310000000000002 110.737 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.437 HG12 ' HE3' ' A' ' 43' ' ' LYS . 22.8 t -64.74 -35.59 75.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 72.340000000000003 110.959 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.8 -28.71 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.329999999999998 111.463 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.65 86.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 53.43 111.409 -176.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 39' ' ' VAL . 13.9 p -72.33 -30.41 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.99 0.424 . . . . 73.040000000000006 109.988 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HE3' HG12 ' A' ' 39' ' ' VAL . 97.0 mttt -65.11 -32.81 74.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 74.319999999999993 110.814 176.419 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.747 ' HG2' ' HE2' ' A' ' 48' ' ' LYS . 36.7 tt0 -58.65 -43.51 89.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.856 -0.611 . . . . 73.200000000000003 111.305 -176.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -74.87 -31.29 61.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.71 0.29 . . . . 75.329999999999998 110.683 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.7 -35.14 70.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.132 0.491 . . . . 72.129999999999995 110.074 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -68.94 -48.82 62.28 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.608 -0.724 . . . . 73.430000000000007 110.461 176.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.747 ' HE2' ' HG2' ' A' ' 44' ' ' GLU . 57.4 mtmt -77.07 2.58 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.504 -0.316 . . . . 74.340000000000003 111.344 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -73.4 -57.41 4.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.961 0.41 . . . . 70.430000000000007 110.462 176.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.5 p -109.08 -7.76 15.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.253 -0.43 . . . . 72.540000000000006 111.038 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.85 26.91 57.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 44.140000000000001 111.378 -177.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.0 m -130.81 139.94 50.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.853 -0.425 . . . . 62.25 109.853 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.9 m -63.96 137.11 57.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.263 -0.273 . . . . 72.099999999999994 110.263 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.6 t -72.51 86.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.206 0.527 . . . . 72.329999999999998 110.414 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -127.74 -51.18 1.36 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.741 -0.663 . . . . 54.140000000000001 110.549 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.491 ' HB3' ' HG ' ' A' ' 95' ' ' LEU . 12.2 m -59.42 -49.59 77.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.251 -0.432 . . . . 64.129999999999995 110.813 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.5 ttm -77.84 100.13 6.21 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.532 -0.544 . . . . 64.540000000000006 109.532 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.23 116.59 17.07 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.027 -0.533 . . . . 73.299999999999997 111.335 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 78.1 mt -94.33 92.73 7.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.828 -0.623 . . . . 74.140000000000001 109.486 176.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 45.7 mt-10 -82.51 132.51 35.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.325 -0.398 . . . . 65.409999999999997 111.096 -176.669 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.5 tp -95.27 111.02 22.94 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.32 -0.622 . . . . 74.200000000000003 109.32 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.582 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 8.1 m-30 -103.99 127.52 51.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.781 0.324 . . . . 74.109999999999999 111.066 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.854 ' HB3' ' HB2' ' A' ' 67' ' ' SER . 11.6 t70 -83.94 103.83 13.52 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.26 -1.015 . . . . 74.349999999999994 108.26 169.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 28.4 t70 71.97 -64.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 124.222 0.952 . . . . 62.109999999999999 110.427 -175.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.3 m -179.63 -46.26 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.532 0.733 . . . . 71.099999999999994 111.225 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.63 -19.47 68.28 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.902 -0.666 . . . . 55.5 114.011 -172.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.854 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 17.8 m -104.59 106.61 17.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 117.075 0.437 . . . . 75.129999999999995 111.379 -177.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -80.36 88.42 5.57 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.069 -0.715 . . . . 61.009999999999998 109.069 175.251 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.7 m -85.77 100.28 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.877 0.846 . . . . 75.319999999999993 111.456 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.22 97.33 8.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.301 -0.863 . . . . 62.240000000000002 110.567 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 p -139.05 118.02 13.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.608 -0.724 . . . . 73.140000000000001 109.939 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.1 tp -124.31 14.05 8.93 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.8 -0.36 . . . . 74.310000000000002 111.257 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.0 m -70.09 -17.51 63.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.035 0.445 . . . . 73.540000000000006 111.158 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.489 ' HA ' ' HG3' ' A' ' 77' ' ' ARG . 5.2 m-20 -108.68 20.4 18.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 55.549999999999997 111.148 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.71 -43.62 96.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.039 0.447 . . . . 54.509999999999998 110.489 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.5 m -85.32 18.82 2.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.623 -0.717 . . . . 64.439999999999998 110.772 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.539 ' HA ' ' HE ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -119.38 151.52 51.43 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-O 120.685 0.278 . . . . 73.299999999999997 111.229 -173.302 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -69.04 129.06 17.66 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.02 1.814 . . . . 71.219999999999999 110.481 169.347 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.683 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 20.8 tp -56.49 -26.51 54.48 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.968 0.359 . . . . 74.329999999999998 111.968 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.615 ' H ' ' HA ' ' A' ' 36' ' ' GLN . . . -69.58 -29.16 71.57 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.826 -0.702 . . . . 73.109999999999999 112.459 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -72.9 -35.01 67.0 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.631 -0.507 . . . . 74.120000000000005 109.631 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -72.7 -34.77 67.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.642 -0.708 . . . . 71.450000000000003 110.966 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 t 65.3 94.15 0.05 OUTLIER Pre-proline 0 C--N 1.332 -0.157 0 CA-C-N 115.905 -0.589 . . . . 74.219999999999999 109.942 -175.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . 0.683 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 61.4 Cg_endo -90.58 -163.81 0.14 Allowed 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.064 2.509 . . . . 73.329999999999998 112.516 -177.038 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -103.07 -172.01 2.04 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.626 -0.509 . . . . 72.209999999999994 109.626 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -54.55 -42.65 71.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.104 0.478 . . . . 72.140000000000001 110.683 176.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.02 176.19 40.81 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 115.694 -0.685 . . . . 65.219999999999999 112.0 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -135.32 155.55 50.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.802 0.334 . . . . 74.040000000000006 110.305 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.582 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 17.0 mmt180 -100.48 106.34 17.88 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.893 -0.594 . . . . 74.099999999999994 110.106 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 19' ' ' ILE . 97.8 mt -90.2 97.96 11.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.99 -0.55 . . . . 72.310000000000002 110.132 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 27.2 t-80 -88.0 97.15 10.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.828 -0.624 . . . . 72.510000000000005 109.544 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.7 mt -82.12 113.8 21.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.675 -0.693 . . . . 75.030000000000001 110.789 -177.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.1 mm -74.94 104.4 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.377 -0.601 . . . . 72.209999999999994 109.377 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.462 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 2.5 m-20 -66.93 113.1 4.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.012 -0.54 . . . . 74.400000000000006 111.413 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.496 ' O ' ' HD3' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -84.79 9.94 12.78 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.706 -0.85 . . . . 73.430000000000007 108.706 174.309 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -105.89 91.12 4.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 114.934 -1.03 . . . . 70.219999999999999 108.66 174.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 95' ' ' LEU . 2.6 Cg_endo . . . . . 0 C--O 1.252 1.19 0 C-N-CA 123.428 2.752 . . . . 70.439999999999998 112.377 -173.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 121.242 0.544 . . . . 63.299999999999997 111.229 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.9 p -66.31 98.63 0.48 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.581 -0.736 . . . . 73.319999999999993 111.712 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 30.4 m -75.58 137.94 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.333 -0.617 . . . . 64.519999999999996 109.333 172.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -98.12 96.91 8.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.09 0.471 . . . . 71.239999999999995 111.089 -176.614 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -94.42 112.76 24.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.54 -0.754 . . . . 74.049999999999997 109.305 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -86.04 117.54 24.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.124 0.488 . . . . 71.409999999999997 110.255 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 mm -94.6 129.2 45.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.458 -0.792 . . . . 73.109999999999999 110.39 -176.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -130.52 124.05 31.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.313 -0.403 . . . . 50.109999999999999 110.223 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.13 138.41 34.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 73.549999999999997 110.522 -178.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.63 -22.48 66.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.276 -0.42 . . . . 62.509999999999998 111.439 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -77.99 -26.44 48.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 53.229999999999997 111.186 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.3 mt -133.71 106.48 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.557 -0.292 . . . . 74.219999999999999 110.866 -173.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -73.98 -13.27 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 54.130000000000003 111.027 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -87.82 -7.48 57.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.023 0.44 . . . . 72.530000000000001 110.205 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -84.59 93.2 8.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.106 0.479 . . . . 65.409999999999997 111.014 -174.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 m -123.06 89.34 3.09 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.971 -0.751 . . . . 63.119999999999997 108.971 172.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.23 146.42 26.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.748 -0.66 . . . . 63.130000000000003 111.089 -174.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -102.8 117.34 34.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.077 -0.511 . . . . 64.319999999999993 109.999 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.16 132.65 56.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.224 -0.443 . . . . 45.329999999999998 110.356 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 18.3 ptt180 -112.63 147.3 37.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.887 0.375 . . . . 72.430000000000007 111.017 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.446 ' O ' HG22 ' A' ' 15' ' ' VAL . 15.4 t80 -160.75 -179.41 7.57 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.983 -0.747 . . . . 74.140000000000001 108.983 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.446 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 22.7 p -85.57 139.91 35.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 120.525 0.202 . . . . 62.109999999999999 110.818 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 16.6 Cg_exo -67.52 -17.51 48.62 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.306 2.671 . . . . 43.520000000000003 112.84 -176.344 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -82.36 17.4 1.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.013 0.435 . . . . 73.540000000000006 110.914 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.4 ttt -74.93 143.86 43.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.95 -0.568 . . . . 73.329999999999998 110.688 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 m -118.89 149.04 42.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.056 -0.52 . . . . 60.409999999999997 110.001 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.737 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 35.1 t -66.13 -31.4 53.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.378 -0.374 . . . . 65.129999999999995 110.355 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 36.1 tt0 -54.34 -45.69 72.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.056 0.455 . . . . 64.519999999999996 110.004 174.246 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.5 95.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.368 -0.833 . . . . 74.030000000000001 111.806 -175.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 39' ' ' VAL . 12.4 p -71.75 -31.81 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 120.715 -0.394 . . . . 53.310000000000002 110.867 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HB3' ' NZ ' ' A' ' 43' ' ' LYS . 9.1 mtpm? -70.27 -41.5 73.35 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.165 -0.309 . . . . 74.219999999999999 110.165 177.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 56.8 mt-10 -59.76 -41.32 90.77 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.307 0.575 . . . . 74.140000000000001 109.581 174.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -62.83 -50.97 68.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.071 -0.968 . . . . 71.049999999999997 110.518 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.86 -40.76 97.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 72.0 111.153 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TRP . . . . . 0.725 ' HD1' HG23 ' A' ' 52' ' ' THR . 14.9 t90 -56.78 -46.13 81.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 75.030000000000001 111.231 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.29 -29.83 48.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.506 -0.316 . . . . 63.450000000000003 111.268 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -75.94 -73.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.586 -0.279 . . . . 71.540000000000006 111.312 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 80.2 m -152.62 -58.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 64.129999999999995 110.968 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.72 81.44 0.75 Allowed Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.949 -0.569 . . . . 43.43 113.261 -175.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.725 HG23 ' HD1' ' A' ' 47' ' ' TRP . 26.1 m -71.75 -41.84 67.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.143 0.497 . . . . 64.450000000000003 109.811 176.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 p -123.39 108.65 12.95 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.697 -0.683 . . . . 64.230000000000004 110.634 177.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 m -81.03 97.09 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.501 0.667 . . . . 71.340000000000003 110.795 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -108.36 -58.31 2.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.466 -0.788 . . . . 73.209999999999994 110.838 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.53 ' CB ' ' HB2' ' A' ' 96' ' ' ASP . 14.4 m -88.22 5.72 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.002 -0.544 . . . . 61.299999999999997 111.527 -172.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.6 ttp -133.15 103.86 6.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.001 -0.545 . . . . 73.120000000000005 109.78 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.583 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -99.24 131.89 44.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.024 -0.535 . . . . 73.540000000000006 110.742 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 77.4 mt -95.62 95.95 8.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.998 -0.546 . . . . 74.209999999999994 110.265 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -91.34 114.84 27.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.274 -0.421 . . . . 72.340000000000003 110.43 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 68.3 tp -100.01 111.72 24.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.15 -0.477 . . . . 73.430000000000007 110.643 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.598 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 0.7 OUTLIER -96.51 152.69 18.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.02 -0.537 . . . . 74.109999999999999 109.713 177.876 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.97 -179.88 4.56 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.162 -0.681 . . . . 74.239999999999995 109.162 173.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -68.07 -26.97 66.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 65.209999999999994 111.613 -176.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -71.79 -36.67 70.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.437 -0.347 . . . . 72.530000000000001 110.357 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.65 25.25 2.91 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.792 -0.718 . . . . 64.329999999999998 112.296 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -114.17 150.68 33.84 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.277 -0.268 . . . . 64.530000000000001 110.277 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 118.11 22.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.406 0.622 . . . . 73.049999999999997 110.469 176.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -110.09 9.9 8.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.672 -0.695 . . . . 71.120000000000005 110.85 -177.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -73.45 103.01 3.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.707 -0.679 . . . . 63.539999999999999 111.246 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.93 118.86 14.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.08 -0.509 . . . . 75.030000000000001 110.306 176.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.85 75.36 10.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.094 0.473 . . . . 62.340000000000003 110.858 -176.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.6 m -118.2 -44.71 2.67 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.853 -0.612 . . . . 72.129999999999995 109.658 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.428 ' HB3' ' CG ' ' A' ' 77' ' ' ARG . 5.0 m-20 -115.24 83.34 1.9 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 65.530000000000001 109.587 173.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.737 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 3.8 p30 -96.79 -17.28 20.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.734 -0.666 . . . . 62.219999999999999 110.848 -176.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.0 m -97.66 19.85 12.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.14 -0.482 . . . . 71.230000000000004 110.835 -174.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.428 ' CG ' ' HB3' ' A' ' 74' ' ' ASP . 15.6 mmm-85 -114.09 152.79 46.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 109.703 -0.48 . . . . 72.420000000000002 109.703 -178.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.37 101.47 1.26 Allowed 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.113 1.875 . . . . 63.539999999999999 111.03 171.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.72 -31.82 73.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 72.099999999999994 111.594 -175.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.92 10.97 23.25 Favored Glycine 0 CA--C 1.517 0.192 0 C-N-CA 121.007 -0.616 . . . . 45.149999999999999 112.883 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -91.9 -22.21 20.18 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.574 -0.528 . . . . 73.0 109.574 175.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -71.72 -50.59 28.86 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.091 -0.707 . . . . 73.019999999999996 109.091 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.0 p -154.61 152.27 25.52 Favored Pre-proline 0 N--CA 1.446 -0.639 0 CA-C-N 115.028 -0.987 . . . . 42.32 108.649 174.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.2 -63.29 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.352 2.035 . . . . 75.129999999999995 111.492 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.488 ' HA ' ' CE2' ' A' ' 88' ' ' PHE . 25.1 p90 -175.16 98.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.328 0.585 . . . . 74.319999999999993 110.584 174.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.43 -60.56 3.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.758 -0.655 . . . . 62.109999999999999 110.401 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.48 53.97 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.668 -0.973 . . . . 64.319999999999993 110.668 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.488 ' CE2' ' HA ' ' A' ' 85' ' ' PHE . 78.6 m-85 -68.47 101.31 1.22 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.103 0.478 . . . . 74.150000000000006 110.7 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.598 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 11.4 mmt180 -101.99 115.65 30.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.689 -0.687 . . . . 62.329999999999998 110.257 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.6 mt -91.87 95.8 10.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.417 0.627 . . . . 65.239999999999995 110.749 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -86.25 91.64 8.53 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.616 -0.883 . . . . 62.219999999999999 108.616 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.3 mm -71.57 105.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.673 -0.694 . . . . 74.239999999999995 110.55 -174.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.583 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 39.6 mm -80.68 76.17 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 121.614 0.721 . . . . 70.319999999999993 109.446 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -88.78 96.24 10.6 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.805 -1.088 . . . . 52.450000000000003 108.742 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.65 -21.27 15.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.526 -0.761 . . . . 73.439999999999998 111.009 -172.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.53 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 7.5 t70 -64.62 112.19 7.33 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 72.409999999999997 111.245 -172.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 2.5 Cg_endo . . . . . 0 C--O 1.248 1.018 0 C-N-CA 122.943 2.428 . . . . 65.340000000000003 111.091 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 121.424 0.631 . . . . 53.439999999999998 110.587 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 p -166.23 120.47 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.082 -0.508 . . . . 73.019999999999996 110.833 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.3 m -119.04 144.34 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.347 -0.388 . . . . 63.020000000000003 110.636 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.778 ' H ' ' HB2' ' A' ' 86' ' ' ASP . 37.7 m80 -89.05 91.84 8.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.098 -0.501 . . . . 72.319999999999993 110.356 178.388 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 75.8 mt -78.14 93.37 4.54 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.308 -0.627 . . . . 64.340000000000003 109.308 174.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.712 ' HB2' ' HA ' ' A' ' 89' ' ' ARG . 74.8 m-70 -74.28 82.48 1.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.92 -0.582 . . . . 75.439999999999998 111.017 -176.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.47 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 70.8 mt -62.32 111.14 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.66 -0.496 . . . . 70.439999999999998 109.66 175.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.5 m -122.73 142.27 50.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.064 -0.516 . . . . 54.530000000000001 110.309 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.49 167.03 11.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.457 -0.338 . . . . 60.0 110.759 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.91 -45.12 14.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.1 -0.5 . . . . 61.450000000000003 110.377 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -72.55 -57.46 4.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.868 -0.605 . . . . 73.040000000000006 110.464 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 99.0 mt -75.02 102.39 4.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.921 -0.581 . . . . 70.439999999999998 110.479 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -63.86 -53.11 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.942 -0.572 . . . . 72.150000000000006 110.775 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -89.91 87.73 7.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.157 0.503 . . . . 75.140000000000001 109.681 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -127.29 92.1 3.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.748 -0.66 . . . . 74.219999999999999 110.174 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 m -85.41 94.15 8.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.631 -0.713 . . . . 54.25 110.311 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.47 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -124.96 26.34 7.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.78 -0.645 . . . . 21.420000000000002 110.151 177.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . 0.496 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 9.1 p-10 -72.99 118.89 16.5 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.826 0.822 . . . . 74.310000000000002 110.582 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.546 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . . . -115.2 146.2 41.65 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.342 -0.844 . . . . 75.450000000000003 110.191 177.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -78.37 98.97 6.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.403 0.621 . . . . 55.329999999999998 110.782 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 31' ' ' ALA . 75.1 m-85 -107.57 154.41 21.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.719 -0.673 . . . . 73.209999999999994 110.412 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' SER . . . . . 0.441 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 31.8 m -78.94 143.9 62.74 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 108.905 -0.776 . . . . 72.420000000000002 108.905 170.067 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 10.7 Cg_exo -71.89 30.57 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.18 2.587 . . . . 51.420000000000002 113.011 -175.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -115.28 20.54 14.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.04 0.448 . . . . 63.32 110.796 -177.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 56.9 ttp -120.77 106.55 11.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.771 -0.65 . . . . 74.129999999999995 109.775 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -78.73 159.0 28.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.057 0.456 . . . . 65.349999999999994 111.549 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.72 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 57.8 t -64.88 -28.0 43.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.828 -0.624 . . . . 64.019999999999996 110.749 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -54.65 -31.06 56.92 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.229 0.538 . . . . 60.420000000000002 110.907 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.5 -40.78 22.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 74.420000000000002 111.545 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' ' 39' ' ' VAL . 10.4 p -69.28 -32.58 54.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 120.868 -0.333 . . . . 55.340000000000003 110.898 -176.202 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -62.03 -44.5 96.58 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.879 0.371 . . . . 75.140000000000001 110.03 175.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -64.69 -39.63 93.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.63 -0.714 . . . . 53.140000000000001 110.256 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -67.85 -33.25 74.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.384 -0.826 . . . . 74.540000000000006 111.015 -176.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.3 mt -79.74 -35.98 38.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.206 0.527 . . . . 53.200000000000003 110.336 175.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -63.69 -33.53 75.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.443 -0.799 . . . . 74.209999999999994 110.663 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -94.46 5.74 50.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.245 -0.434 . . . . 74.549999999999997 111.124 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -100.67 -60.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.893 0.378 . . . . 74.409999999999997 110.397 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.5 m -99.12 -11.46 21.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.356 -0.384 . . . . 71.209999999999994 111.103 -176.388 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.06 35.54 90.73 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.749 -0.739 . . . . 52.240000000000002 111.82 -177.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.0 m -107.85 133.59 52.0 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.27 -0.27 . . . . 64.540000000000006 110.27 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.3 m -68.3 123.99 22.26 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.927 -0.397 . . . . 63.200000000000003 109.927 176.437 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.36 2.93 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 112.348 0.499 . . . . 73.519999999999996 112.348 -172.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -71.37 -15.37 62.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.242 0.544 . . . . 75.219999999999999 110.623 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.3 m -95.74 0.65 52.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.22 -0.446 . . . . 54.439999999999998 110.65 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.7 ttp -142.1 110.77 6.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 55.240000000000002 111.024 -174.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.04 148.78 28.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.376 -0.375 . . . . 64.209999999999994 110.027 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.2 mt -97.72 109.57 22.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.44 0.638 . . . . 74.219999999999999 110.761 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.702 ' HB3' ' HB3' ' A' ' 91' ' ' HIS . 2.4 tm-20 -90.03 153.61 20.44 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.849 -1.069 . . . . 74.120000000000005 108.779 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 88' ' ' PHE . 21.3 tp -132.35 104.64 6.83 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.185 -0.606 . . . . 52.119999999999997 112.068 -171.025 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.586 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 56.5 m-85 -87.04 146.47 26.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.62 -0.718 . . . . 72.310000000000002 109.126 171.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.465 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -115.89 153.5 31.41 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.529 -0.545 . . . . 75.310000000000002 109.529 174.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -90.97 23.38 3.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.643 0.609 . . . . 73.430000000000007 112.643 -174.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.0 t -122.87 -54.89 1.82 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.933 0.397 . . . . 53.420000000000002 110.118 175.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.71 -86.33 1.91 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 121.012 -0.614 . . . . 62.340000000000003 112.303 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.8 m -160.7 -76.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.944 0.402 . . . . 75.319999999999993 111.379 -177.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 4.4 mtpm? -138.9 102.42 4.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 54.439999999999998 109.854 -170.635 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 2.7 m -127.79 101.45 7.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.284 0.564 . . . . 75.049999999999997 110.817 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.75 110.18 18.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.884 -0.598 . . . . 72.420000000000002 110.53 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.498 ' HB ' ' OD1' ' A' ' 74' ' ' ASP . 46.9 t -68.27 -59.78 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.628 -0.508 . . . . 60.25 109.628 177.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp 71.51 5.54 5.44 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.626 -0.716 . . . . 63.100000000000001 111.253 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' SER . . . . . 0.45 ' H ' HG12 ' A' ' 71' ' ' VAL . 43.0 t -103.47 -6.68 21.58 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.231 -1.025 . . . . 73.409999999999997 108.231 172.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.498 ' OD1' ' HB ' ' A' ' 71' ' ' VAL . 9.0 p-10 -93.62 -15.82 24.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.449 -1.251 . . . . 72.25 110.525 -178.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.72 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 9.2 p-10 -61.57 -33.46 73.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.823 -0.626 . . . . 72.430000000000007 111.308 -175.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 p -105.5 10.51 33.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.681 -0.691 . . . . 63.210000000000001 111.138 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -118.31 159.77 42.18 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.431 -0.581 . . . . 61.240000000000002 109.431 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.04 110.38 0.67 Allowed 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 121.896 1.73 . . . . 74.129999999999995 110.769 172.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.6 tp -58.59 -27.12 64.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.385 -0.371 . . . . 75.530000000000001 111.642 -172.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.93 -10.43 83.85 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 121.185 -0.531 . . . . 73.409999999999997 112.654 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -78.31 -42.52 30.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.535 -0.543 . . . . 73.430000000000007 109.535 176.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -77.47 -41.66 38.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.827 -0.624 . . . . 72.150000000000006 110.233 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.1 t 67.79 91.37 0.07 OUTLIER Pre-proline 0 C--O 1.234 0.259 0 CA-C-N 115.807 -0.633 . . . . 53.450000000000003 111.004 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -90.33 177.09 2.44 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.14 2.56 . . . . 61.310000000000002 112.627 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.598 ' H ' ' HE2' ' A' ' 88' ' ' PHE . 59.3 m-85 -95.58 175.96 6.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.926 -0.579 . . . . 72.129999999999995 109.724 177.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.778 ' HB2' ' H ' ' A' ' 16' ' ' HIS . 3.7 p-10 -95.38 -9.26 33.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.795 0.331 . . . . 61.149999999999999 110.69 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.03 64.27 2.72 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.799 -0.715 . . . . 45.219999999999999 112.248 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.598 ' HE2' ' H ' ' A' ' 85' ' ' PHE . 49.7 m-85 -135.1 141.46 46.03 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.046 0.451 . . . . 74.219999999999999 110.862 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ARG . . . . . 0.712 ' HA ' ' HB2' ' A' ' 18' ' ' HIS . 80.2 mtt85 -110.16 117.87 34.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.032 -0.531 . . . . 74.430000000000007 110.888 178.634 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.43 90.81 4.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.187 -0.672 . . . . 71.340000000000003 109.187 174.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' HIS . . . . . 0.702 ' HB3' ' HB3' ' A' ' 60' ' ' GLU . 19.1 t-160 -86.03 97.83 10.5 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.866 -0.607 . . . . 54.409999999999997 109.833 -175.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.42 114.13 3.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.547 -0.752 . . . . 74.409999999999997 110.488 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.68 94.73 4.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.989 0.423 . . . . 61.439999999999998 110.7 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -94.48 107.84 19.8 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.13 -0.693 . . . . 74.319999999999993 109.13 171.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.06 -74.48 0.13 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.897 -0.592 . . . . 72.0 110.223 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 3.5 p-10 -128.05 124.0 22.92 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 116.316 -0.402 . . . . 72.409999999999997 110.128 177.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 3.0 Cg_exo . . . . . 0 C--O 1.249 1.062 0 C-N-CA 123.051 2.5 . . . . 73.519999999999996 112.006 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 109.943 -0.392 . . . . 64.329999999999998 109.943 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -108.07 -148.76 14.05 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.852 -0.69 . . . . 64.019999999999996 111.929 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -145.02 123.67 12.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.96 0.41 . . . . 74.450000000000003 110.646 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -86.99 132.73 33.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 75.120000000000005 110.493 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -139.35 92.47 2.58 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.413 0.625 . . . . 71.109999999999999 110.041 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -108.79 114.39 28.14 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.604 -0.726 . . . . 73.120000000000005 110.626 -176.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -106.59 110.12 22.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.999 -0.546 . . . . 74.230000000000004 110.319 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.72 106.27 15.01 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.251 -0.648 . . . . 71.319999999999993 109.251 177.256 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 p -60.79 118.05 6.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.674 . . . . 43.310000000000002 112.473 -170.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -156.43 104.86 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.132 -0.94 . . . . 72.439999999999998 110.073 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.0 68.87 2.53 Favored Glycine 0 C--O 1.227 -0.3 0 C-N-CA 120.925 -0.655 . . . . 64.420000000000002 111.759 176.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -79.33 155.58 28.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.834 0.35 . . . . 63.140000000000001 110.681 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -103.98 100.57 10.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.015 0.436 . . . . 74.329999999999998 110.827 -176.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.618 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 70.5 m -153.88 141.74 20.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.648 -0.705 . . . . 64.150000000000006 109.989 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.498 HG23 ' HG ' ' A' ' 17' ' ' LEU . 20.0 m -93.8 162.19 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.438 -0.346 . . . . 62.109999999999999 110.63 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -103.68 76.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.927 0.394 . . . . 75.329999999999998 110.238 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.498 ' HG ' HG23 ' A' ' 15' ' ' VAL . 91.8 mt -71.56 117.43 13.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.111 -0.495 . . . . 71.5 110.757 -177.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -81.23 93.75 6.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 63.25 110.299 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.457 HD11 ' HE2' ' A' ' 33' ' ' PHE . 65.1 mt -84.35 110.46 18.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.727 -0.67 . . . . 44.439999999999998 110.487 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.1 p -114.46 117.44 31.0 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.173 0.511 . . . . 71.209999999999994 110.978 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -84.84 120.97 27.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.679 -0.691 . . . . 75.329999999999998 109.348 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.72 -14.04 28.43 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.318 0.858 . . . . 50.049999999999997 113.318 -172.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -70.61 -20.54 62.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.327 . . . . 75.129999999999995 110.355 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mp -113.12 152.22 29.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.932 -0.576 . . . . 71.439999999999998 109.932 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -66.71 -52.38 45.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.226 0.536 . . . . 72.219999999999999 110.342 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.0 t -135.46 100.48 4.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.01 -0.541 . . . . 75.239999999999995 110.166 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -102.56 91.08 4.06 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.984 -0.747 . . . . 73.129999999999995 108.984 176.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.9 p -82.04 85.73 6.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.202 0.525 . . . . 74.450000000000003 111.435 -175.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.48 85.19 2.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.078 -0.51 . . . . 43.240000000000002 110.754 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.491 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 13.7 p-10 -91.28 87.76 6.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.177 0.989 . . . . 75.510000000000005 109.695 175.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.75 134.55 33.57 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.881 -1.054 . . . . 72.129999999999995 110.928 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 32' ' ' ARG . 6.2 ptm180 -71.85 115.72 11.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.618 -0.719 . . . . 65.239999999999995 110.694 175.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.457 ' HE2' HD11 ' A' ' 19' ' ' ILE . 63.4 m-85 -124.68 136.05 53.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.562 -0.745 . . . . 71.25 109.884 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -65.39 121.98 77.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.265 -0.642 . . . . 63.020000000000003 109.265 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.618 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 57.0 Cg_endo -71.74 13.13 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.02 2.48 . . . . 70.109999999999999 113.646 -173.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -93.42 1.61 56.8 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.543 -0.539 . . . . 61.210000000000001 109.543 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.6 ttm -87.32 130.11 34.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.571 -0.74 . . . . 73.230000000000004 110.315 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.6 p -92.11 162.81 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.007 0.432 . . . . 61.539999999999999 111.065 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.464 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 47.6 t -66.29 -34.56 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.564 -0.532 . . . . 75.230000000000004 109.564 175.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.77 -43.29 85.41 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.408 -0.814 . . . . 73.239999999999995 111.131 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.26 -48.55 72.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.967 -0.561 . . . . 75.430000000000007 111.868 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.6 p -67.01 -29.01 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.618 -0.265 . . . . 62.200000000000003 111.362 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 39' ' ' VAL . 34.2 mmtp -65.42 -60.29 3.12 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.774 0.321 . . . . 51.140000000000001 111.044 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 40.0 mt-10 -67.71 -24.58 65.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.389 . . . . 74.209999999999994 111.887 -176.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -60.5 -43.81 96.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.895 0.378 . . . . 74.430000000000007 110.587 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.3 mt -82.47 -30.77 29.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.2 -0.455 . . . . 75.430000000000007 110.217 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.605 ' HB3' ' HA ' ' A' ' 44' ' ' GLU . 59.2 t90 -60.12 -49.63 76.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.656 -0.702 . . . . 63.240000000000002 111.088 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 22.1 ptmt -69.35 -25.39 64.17 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.076 0.465 . . . . 60.350000000000001 110.914 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -81.03 -50.58 9.49 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.925 -0.579 . . . . 61.299999999999997 111.225 -174.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.4 m -93.23 -32.86 14.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.548 -0.296 . . . . 73.430000000000007 111.642 -176.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.15 53.64 8.93 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.65 -0.786 . . . . 61.439999999999998 112.073 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -146.01 159.37 43.35 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.398 -0.223 . . . . 61.130000000000003 110.398 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.0 p -89.61 119.06 29.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.198 0.523 . . . . 71.420000000000002 110.73 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.0 m -89.89 42.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.361 0.6 . . . . 74.140000000000001 111.171 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -82.28 -35.06 28.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.946 -0.57 . . . . 72.25 111.157 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -83.49 5.07 25.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.015 0.436 . . . . 72.219999999999999 111.611 -177.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 42.7 ttm -118.27 94.34 4.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.031 -0.532 . . . . 61.210000000000001 109.66 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.578 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -91.72 154.65 18.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.125 -0.488 . . . . 72.409999999999997 111.167 -175.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.65 96.63 5.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.144 -0.48 . . . . 72.439999999999998 110.761 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . 13.3 mm-40 -82.58 91.41 6.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.957 -0.565 . . . . 73.510000000000005 109.947 176.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.573 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 56.8 tp -82.34 101.64 10.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.346 -0.843 . . . . 54.350000000000001 110.307 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 60' ' ' GLU . 49.1 m-85 -98.52 159.35 15.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.077 0.465 . . . . 73.5 111.081 -178.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -104.24 -164.57 1.07 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.619 -0.718 . . . . 44.009999999999998 109.435 175.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -79.04 -27.48 43.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.723 0.297 . . . . 64.450000000000003 110.722 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.9 t -71.14 -45.66 63.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.992 0.425 . . . . 74.129999999999995 110.065 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.23 33.46 0.72 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.453 -0.88 . . . . 72.319999999999993 112.299 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 m -124.51 157.92 34.16 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.826 -0.435 . . . . 70.430000000000007 109.826 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -85.17 111.15 19.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.448 0.642 . . . . 65.540000000000006 110.065 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.2 m -86.43 -6.11 10.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.668 -0.696 . . . . 55.420000000000002 111.001 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.573 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -70.27 110.38 5.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.035 -0.53 . . . . 74.420000000000002 109.79 174.66 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.511 HG13 ' H ' ' A' ' 73' ' ' SER . 12.3 p -111.26 0.66 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.496 0.665 . . . . 65.209999999999994 109.926 -176.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 73.01 -4.34 2.2 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.141 -0.936 . . . . 54.420000000000002 111.531 176.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.511 ' H ' HG13 ' A' ' 71' ' ' VAL . 16.0 m -85.68 -18.03 34.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.62 -0.882 . . . . 75.510000000000005 108.62 171.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -76.61 -3.8 39.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.254 -1.339 . . . . 64.530000000000001 110.897 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -60.62 -25.95 66.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.674 -0.694 . . . . 63.149999999999999 111.208 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.8 p -129.64 22.71 5.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 74.230000000000004 111.162 -174.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -122.97 135.9 26.32 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.379 -0.373 . . . . 74.319999999999993 110.311 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.477 ' HG2' ' HB3' ' A' ' 81' ' ' PHE . 15.2 Cg_endo -59.66 116.66 3.45 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.344 2.029 . . . . 62.439999999999998 111.398 174.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.9 mt -55.2 -40.25 70.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.055 -0.52 . . . . 72.310000000000002 111.558 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.486 ' H ' ' HB2' ' A' ' 35' ' ' PRO . . . -78.09 0.59 72.74 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.029 -0.605 . . . . 73.310000000000002 112.866 -176.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.477 ' HB3' ' HG2' ' A' ' 78' ' ' PRO . 69.9 t80 -108.4 -15.51 14.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.152 0.501 . . . . 72.219999999999999 109.754 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -92.68 -54.78 3.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.879 -0.601 . . . . 73.430000000000007 111.06 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.469 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 46.7 m -136.15 131.38 18.71 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.778 0.323 . . . . 71.430000000000007 111.446 -177.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 83' ' ' SER . 4.2 Cg_exo -80.53 95.04 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.205 2.603 . . . . 35.450000000000003 112.349 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -137.78 137.38 38.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.968 -0.56 . . . . 74.019999999999996 109.871 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -62.77 -39.61 94.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.106 0.479 . . . . 70.099999999999994 110.858 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -162.4 129.5 2.08 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.746 -0.74 . . . . 54.299999999999997 112.025 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' HB3' HD11 ' A' ' 61' ' ' LEU . 97.3 m-85 -87.46 161.61 17.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.754 0.311 . . . . 71.010000000000005 110.613 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 -94.37 101.82 13.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.085 -0.507 . . . . 74.019999999999996 110.819 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 66.2 mt -97.19 96.52 8.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.36 -0.382 . . . . 70.409999999999997 110.394 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -98.4 101.35 12.77 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.983 -0.747 . . . . 61.219999999999999 108.983 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.8 mt -73.33 111.53 8.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.694 -0.684 . . . . 71.430000000000007 111.085 -175.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.578 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 48.9 mm -82.31 82.63 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 108.927 -0.768 . . . . 61.310000000000002 108.927 175.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -89.05 94.55 9.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.709 -1.132 . . . . 70.140000000000001 109.846 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.514 ' HG ' HG22 ' A' ' 93' ' ' ILE . 78.8 mt -97.75 16.38 20.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.664 -0.698 . . . . 74.430000000000007 110.883 -176.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -115.53 83.58 11.13 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 121.181 0.515 . . . . 71.140000000000001 109.746 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 95' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.905 0 C-N-CA 123.138 2.559 . . . . 51.549999999999997 111.521 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.4 mtp . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.948 0.404 . . . . 73.299999999999997 110.374 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.42 -145.48 15.18 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.321 -0.712 . . . . 73.040000000000006 111.321 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 58.0 70.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.056 0.455 . . . . 72.219999999999999 111.637 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -137.19 27.06 2.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.028 -0.533 . . . . 74.340000000000003 109.564 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -80.29 78.87 6.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.447 -0.797 . . . . 70.040000000000006 110.954 -174.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -133.87 144.99 49.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.151 -0.477 . . . . 74.439999999999998 110.072 175.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -149.57 105.85 3.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.966 -0.561 . . . . 73.409999999999997 109.728 -176.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.8 p-80 -125.72 119.15 27.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.525 -0.546 . . . . 71.340000000000003 109.525 174.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -148.53 127.74 12.92 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.652 -0.499 . . . . 72.0 109.652 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -80.54 76.15 7.39 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.323 0.582 . . . . 63.439999999999998 109.79 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 141.98 -148.5 20.21 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.42 -0.809 . . . . 64.409999999999997 111.339 -177.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -144.84 137.34 26.27 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.741 0.27 . . . . 64.299999999999997 110.543 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -165.07 98.73 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.994 0.426 . . . . 75.409999999999997 110.338 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.5 m -160.09 141.16 12.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.92 -0.582 . . . . 75.150000000000006 109.953 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.9 m -105.48 152.31 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.766 0.317 . . . . 75.319999999999993 110.303 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -91.87 93.58 8.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.222 -0.445 . . . . 52.340000000000003 110.237 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -74.74 104.92 5.58 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.593 -0.521 . . . . 72.540000000000006 109.593 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -72.38 101.43 2.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.062 -0.517 . . . . 74.209999999999994 110.212 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.0 mt -87.14 118.5 33.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.977 -0.556 . . . . 73.109999999999999 110.348 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.4 m -121.16 98.37 5.95 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.055 -0.521 . . . . 64.400000000000006 109.894 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -76.67 124.02 27.02 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.586 -0.524 . . . . 60.130000000000003 109.586 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.512 ' HB2' HD13 ' A' ' 93' ' ' ILE . . . -56.81 -37.43 71.18 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.04 0.385 . . . . 74.120000000000005 112.04 -176.584 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.608 ' ND2' ' HA ' ' A' ' 97' ' ' PRO . 3.2 m-20 -59.9 -33.5 71.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 54.109999999999999 110.899 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.4 mt -127.26 86.1 2.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.298 -0.63 . . . . 50.439999999999998 109.298 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 13.9 ptpt -71.63 -2.03 15.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.216 -0.447 . . . . 63.329999999999998 111.979 -173.377 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 t -98.96 4.73 47.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.966 0.412 . . . . 63.310000000000002 110.013 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -78.9 107.58 11.74 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.475 -0.565 . . . . 72.140000000000001 109.475 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 p -118.65 23.77 11.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.829 -0.623 . . . . 64.219999999999999 111.193 -175.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.47 113.92 21.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.154 0.502 . . . . 53.030000000000001 111.278 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -90.51 150.5 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.836 -0.62 . . . . 74.200000000000003 109.929 176.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.61 139.99 52.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.075 0.464 . . . . 63.109999999999999 111.517 -176.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -81.18 112.77 18.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.619 -0.719 . . . . 74.200000000000003 110.911 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -140.18 169.64 17.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.922 0.391 . . . . 73.239999999999995 110.781 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 45.8 p -105.23 123.68 38.91 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.642 -0.708 . . . . 65.409999999999997 110.094 178.399 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 17.5 Cg_exo -66.73 -8.38 21.08 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.055 2.504 . . . . 60.299999999999997 112.318 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -77.67 3.55 13.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 74.310000000000002 111.138 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.8 ttm -91.14 146.58 23.72 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.776 -0.453 . . . . 64.340000000000003 109.776 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 p -95.36 151.72 19.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.121 0.486 . . . . 45.509999999999998 111.001 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 1.011 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 18.4 t -78.3 -8.28 11.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.83 0.824 . . . . 74.209999999999994 109.76 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 76' ' ' SER . 27.6 tt0 -66.03 -42.53 89.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.575 -0.739 . . . . 62.43 110.321 176.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.82 -31.16 45.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.881 -0.6 . . . . 72.319999999999993 112.112 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.21 -25.89 36.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 111.483 0.179 . . . . 55.25 111.483 -174.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -63.09 -51.74 65.4 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.799 0.333 . . . . 71.239999999999995 110.386 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 36.6 tt0 -68.54 -30.63 69.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.489 . . . . 74.430000000000007 110.101 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.99 -41.7 88.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.895 -0.593 . . . . 72.540000000000006 110.877 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.2 mt -81.64 -24.95 36.04 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.994 0.426 . . . . 73.230000000000004 110.597 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -69.53 -54.44 14.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.83 -0.623 . . . . 64.319999999999993 110.789 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 56.4 pttt -81.98 -6.85 59.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.942 0.401 . . . . 70.299999999999997 111.361 -176.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -80.49 -43.07 21.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.064 0.459 . . . . 74.219999999999999 110.306 176.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.7 t -160.29 -37.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.83 -0.623 . . . . 71.340000000000003 110.249 -176.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.19 50.03 0.84 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.738 -0.744 . . . . 35.409999999999997 112.208 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 53' ' ' SER . 18.3 m -67.94 -22.32 65.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 75.310000000000002 111.098 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 52' ' ' THR . 35.8 t 72.68 160.21 0.23 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.793 -0.639 . . . . 73.239999999999995 111.168 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -106.15 -1.22 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.876 -0.602 . . . . 71.310000000000002 110.747 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -99.47 -28.64 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 72.219999999999999 110.641 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -86.8 10.81 14.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.212 0.529 . . . . 71.120000000000005 110.259 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.8 ttp -147.07 132.43 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.84 -0.618 . . . . 74.349999999999994 110.208 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.624 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -117.12 141.77 47.85 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.774 -0.454 . . . . 75.120000000000005 109.774 175.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.4 mt -105.93 95.53 5.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.318 -0.401 . . . . 73.409999999999997 110.868 -174.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.782 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 24.3 mm-40 -79.6 88.11 5.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 61.140000000000001 110.252 176.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.464 ' H ' ' HB2' ' A' ' 70' ' ' ALA . 56.1 tp -79.62 104.16 10.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.65 -0.705 . . . . 64.109999999999999 110.221 178.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 60' ' ' GLU . 23.3 m-85 -105.01 139.66 39.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.008 -0.542 . . . . 54.329999999999998 111.127 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.412 ' HA ' ' CD1' ' A' ' 88' ' ' PHE . 15.8 t70 -74.47 88.82 2.12 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.916 -0.772 . . . . 61.109999999999999 108.916 176.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.9 t70 57.97 31.01 20.05 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.249 -0.887 . . . . 75.319999999999993 110.445 -177.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.611 ' OG ' ' HD2' ' A' ' 89' ' ' ARG . 74.1 m 69.54 0.95 3.14 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.25 -0.886 . . . . 73.329999999999998 112.907 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.92 -67.54 1.3 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.365 -0.921 . . . . 44.439999999999998 111.673 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.1 m -96.9 171.4 8.53 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.828 -0.434 . . . . 50.340000000000003 109.828 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -115.61 126.23 53.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.118 0.485 . . . . 73.209999999999994 110.412 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.3 m -125.45 17.66 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 74.010000000000005 111.114 -173.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.464 ' HB2' ' H ' ' A' ' 61' ' ' LEU . . . -79.08 91.29 4.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.109 -0.496 . . . . 53.520000000000003 111.068 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -102.03 -40.74 7.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.411 -0.359 . . . . 75.409999999999997 110.918 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 54.86 67.84 0.95 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.273 0.558 . . . . 72.129999999999995 111.194 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.7 t -134.34 6.01 3.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.159 0.981 . . . . 72.209999999999994 108.492 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -146.3 19.35 1.38 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.233 -1.349 . . . . 63.5 109.492 -172.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 1.011 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 7.7 p-10 -69.19 -17.31 63.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.323 -0.853 . . . . 73.549999999999997 111.141 -174.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 16.8 m -79.49 2.83 20.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.131 -0.486 . . . . 72.120000000000005 110.714 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.8 mmm180 -117.93 157.1 49.26 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 54.240000000000002 109.801 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.447 ' HB2' ' HB2' ' A' ' 81' ' ' PHE . 9.6 Cg_exo -72.63 118.05 5.41 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.471 2.114 . . . . 73.510000000000005 111.326 174.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.94 -37.47 79.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.878 0.371 . . . . 61.130000000000003 111.135 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.02 -3.65 88.31 Favored Glycine 0 CA--C 1.518 0.28 0 CA-C-N 116.115 -0.493 . . . . 51.130000000000003 113.058 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.447 ' HB2' ' HB2' ' A' ' 78' ' ' PRO . 85.5 t80 -76.96 -43.65 34.27 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.549 -0.537 . . . . 72.140000000000001 109.549 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -89.21 -54.74 3.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.615 -0.72 . . . . 75.109999999999999 109.618 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.9 t 57.82 88.18 0.13 Allowed Pre-proline 0 C--O 1.234 0.281 0 CA-C-N 115.238 -0.892 . . . . 74.109999999999999 111.913 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.46 -47.99 2.68 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.155 1.903 . . . . 73.299999999999997 110.061 171.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -144.01 -53.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.945 -1.025 . . . . 75.200000000000003 109.003 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.1 t70 69.5 159.3 0.18 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.213 -0.903 . . . . 63.439999999999998 111.495 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.65 38.88 8.51 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 110.875 -0.89 . . . . 35.420000000000002 110.875 -173.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 63' ' ' ASP . 57.8 m-85 -83.5 -178.44 7.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.263 0.554 . . . . 74.239999999999995 111.259 -175.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.611 ' HD2' ' OG ' ' A' ' 65' ' ' SER . 71.5 mtt180 -122.32 138.62 54.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.042 -0.725 . . . . 74.040000000000006 109.042 177.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.72 108.75 20.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.787 0.327 . . . . 75.430000000000007 111.569 -172.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.782 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 9.9 t-80 -88.2 96.26 10.48 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.827 -0.805 . . . . 71.409999999999997 108.827 174.137 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.7 mm -79.9 113.67 19.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.945 -0.57 . . . . 74.430000000000007 110.816 -173.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.624 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 38.4 mm -94.39 120.3 43.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.674 -0.693 . . . . 71.239999999999995 110.222 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -99.11 149.99 22.48 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.765 -0.828 . . . . 74.030000000000001 108.765 175.52 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 tp -76.08 -23.34 54.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.821 0.343 . . . . 74.0 110.841 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 35.0 t70 -127.83 117.56 20.89 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 120.71 0.291 . . . . 54.140000000000001 110.77 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.608 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 4.3 Cg_exo . . . . . 0 C--O 1.246 0.904 0 C-N-CA 123.184 2.589 . . . . 54.210000000000001 112.13 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.091 0.472 . . . . 74.519999999999996 110.343 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.22 122.92 0.72 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.174 -0.77 . . . . 75.209999999999994 111.174 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -124.39 175.28 7.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.199 0.523 . . . . 74.430000000000007 111.224 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -141.75 50.35 1.56 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.419 -0.81 . . . . 74.430000000000007 109.187 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -73.41 -29.58 62.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.103 -0.953 . . . . 54.539999999999999 111.339 -175.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -67.82 130.19 42.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.58 -0.282 . . . . 74.219999999999999 110.574 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -112.08 163.99 13.66 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.808 -0.441 . . . . 75.409999999999997 109.808 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -122.69 -72.14 0.7 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.526 -0.546 . . . . 72.239999999999995 109.526 175.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.3 m 51.81 -156.4 0.14 Allowed 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.692 0.62 . . . . 71.420000000000002 111.174 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -129.89 83.13 2.11 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.189 -0.671 . . . . 64.400000000000006 109.189 171.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.84 121.42 5.89 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.338 -0.846 . . . . 45.009999999999998 112.949 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -110.76 -1.19 16.75 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.908 0.861 . . . . 74.439999999999998 108.966 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -106.79 157.0 18.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.357 -0.838 . . . . 53.439999999999998 110.407 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.6 p 62.13 165.81 0.1 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.318 1.047 . . . . 73.019999999999996 112.757 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 27.8 m -125.15 144.0 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.888 -0.597 . . . . 63.020000000000003 110.683 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -92.76 110.39 21.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.093 -0.503 . . . . 72.319999999999993 111.196 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.6 mt -108.59 139.17 43.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.776 -0.647 . . . . 64.340000000000003 109.671 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -93.24 98.56 11.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.527 -0.306 . . . . 75.439999999999998 110.238 -176.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.1 mt -81.37 132.75 30.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.338 -0.392 . . . . 70.439999999999998 110.869 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.699 ' HA ' ' HD2' ' A' ' 27' ' ' PHE . 17.3 m -139.86 127.82 22.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.345 -0.389 . . . . 54.530000000000001 110.216 176.322 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -86.47 149.28 25.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.173 -0.677 . . . . 60.0 109.173 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' HB3' ' HB2' ' A' ' 94' ' ' ASP . . . -61.31 -45.75 93.15 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.682 0.623 . . . . 61.450000000000003 112.682 -172.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -82.02 -11.32 58.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.239 0.542 . . . . 73.040000000000006 110.907 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.7 mt -93.49 113.73 25.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.054 0.454 . . . . 70.439999999999998 110.789 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -72.17 -53.79 11.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.811 -0.632 . . . . 72.150000000000006 110.127 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -98.25 96.05 7.81 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.764 -0.458 . . . . 75.140000000000001 109.764 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.699 ' HD2' ' HA ' ' A' ' 20' ' ' THR . 27.9 t80 -152.74 110.86 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.939 -0.573 . . . . 74.219999999999999 109.81 176.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -143.06 60.91 1.41 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.824 -0.625 . . . . 54.25 109.523 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.12 118.99 11.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.737 -0.665 . . . . 21.420000000000002 111.435 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -75.18 97.51 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.989 -0.551 . . . . 74.310000000000002 109.998 175.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.86 143.85 48.69 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.164 -0.471 . . . . 75.450000000000003 110.636 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 19.0 ptt180 -113.1 111.75 22.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.419 0.628 . . . . 55.329999999999998 110.406 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -105.1 165.03 11.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.582 -0.735 . . . . 73.209999999999994 109.922 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.1 p -87.44 146.36 39.5 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 110.117 -0.327 . . . . 72.420000000000002 110.117 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.57 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 42.0 Cg_endo -68.56 3.54 2.17 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.075 2.517 . . . . 51.420000000000002 112.803 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -97.91 4.33 49.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.288 -0.415 . . . . 63.32 110.643 -177.621 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 60.3 ttp -82.71 111.77 18.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.213 -0.449 . . . . 74.129999999999995 111.308 -177.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.3 m -93.71 142.33 27.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.668 -0.696 . . . . 65.349999999999994 109.136 172.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.655 ' HB ' ' HA ' ' A' ' 75' ' ' ASP . 41.7 t -64.54 -33.91 66.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 112.041 0.385 . . . . 64.019999999999996 112.041 -173.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.547 ' HB2' ' HB2' ' A' ' 75' ' ' ASP . 37.1 tt0 -68.37 -33.58 74.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.131 0.491 . . . . 60.420000000000002 109.735 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.39 -39.14 74.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 74.420000000000002 110.96 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.604 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.5 p -75.45 -30.27 22.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.606 -0.438 . . . . 55.340000000000003 110.703 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.875 ' HD3' ' HB ' ' A' ' 54' ' ' VAL . 87.6 mttt -63.74 -35.9 82.09 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.737 0.303 . . . . 75.140000000000001 110.539 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.58 -41.23 80.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.007 -0.542 . . . . 53.140000000000001 109.874 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -88.73 8.65 27.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.918 -0.583 . . . . 74.540000000000006 111.389 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 42' ' ' VAL . 89.3 mt -98.05 -42.57 7.43 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.048 -0.723 . . . . 53.200000000000003 109.048 170.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -64.88 -38.49 91.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.315 -0.857 . . . . 74.209999999999994 109.85 175.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -79.27 -4.51 51.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.942 -0.572 . . . . 74.549999999999997 111.892 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -107.58 -59.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.971 0.415 . . . . 74.409999999999997 111.321 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 60.8 m -97.99 -23.42 15.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.296 -0.411 . . . . 71.209999999999994 111.207 -175.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.48 67.97 1.6 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.548 -0.834 . . . . 52.240000000000002 111.411 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.6 m -146.32 135.56 22.78 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.863 -0.421 . . . . 64.540000000000006 109.863 -177.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 m -56.4 127.88 33.21 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.453 0.471 . . . . 63.200000000000003 109.914 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.875 ' HB ' ' HD3' ' A' ' 43' ' ' LYS . 26.9 m -70.8 3.68 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.091 -0.504 . . . . 73.519999999999996 112.012 -172.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -93.95 -32.05 14.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.074 -0.512 . . . . 75.219999999999999 110.778 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.2 m -75.94 -37.76 58.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 54.439999999999998 111.774 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.0 ttp -98.91 103.54 15.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.099 0.476 . . . . 55.240000000000002 110.634 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.425 ' H ' ' HB ' ' A' ' 93' ' ' ILE . . . -105.44 -174.84 2.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.716 -0.675 . . . . 64.209999999999994 110.464 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.8 mt -130.79 125.68 34.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 74.219999999999999 111.194 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.901 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 9.0 mm-40 -87.33 97.18 10.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.796 -0.638 . . . . 74.120000000000005 110.027 172.641 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.674 ' HG ' HG23 ' A' ' 69' ' ' VAL . 43.1 tp -83.94 104.66 14.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.038 -0.528 . . . . 52.119999999999997 110.13 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.583 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 27.4 m-85 -101.12 141.17 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.02 -0.536 . . . . 72.310000000000002 111.126 -179.179 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -117.19 -178.56 3.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 75.310000000000002 109.768 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -97.73 -20.0 17.87 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.015 0.376 . . . . 73.430000000000007 112.015 -176.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -84.86 -48.55 9.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.125 0.488 . . . . 53.420000000000002 110.177 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.93 -110.94 3.33 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.935 -0.65 . . . . 62.340000000000003 111.776 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.55 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 67.2 m -152.67 -70.82 0.15 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.358 -0.238 . . . . 75.319999999999993 110.358 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -106.22 114.31 28.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.329 -0.248 . . . . 54.439999999999998 110.329 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.674 HG23 ' HG ' ' A' ' 61' ' ' LEU . 2.7 m -108.8 28.8 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.968 0.413 . . . . 75.049999999999997 110.553 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.7 89.42 2.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.846 -0.615 . . . . 72.420000000000002 110.874 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.562 HG21 ' HZ ' ' A' ' 82' ' ' PHE . 62.9 t -68.01 -38.79 80.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.842 -0.617 . . . . 60.25 109.909 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 tp 70.77 19.23 5.99 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 115.162 -0.926 . . . . 63.100000000000001 111.129 172.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 t -109.49 -2.93 17.34 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.837 -1.171 . . . . 73.409999999999997 107.837 171.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.67 6.15 7.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 113.786 -1.552 . . . . 72.25 111.904 -177.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.655 ' HA ' ' HB ' ' A' ' 39' ' ' VAL . 1.8 p30 -71.11 -41.5 70.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.55 -0.295 . . . . 72.430000000000007 111.287 178.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.8 m -97.94 -8.78 27.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.812 0.339 . . . . 63.210000000000001 111.21 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.459 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 7.2 mmm180 -111.45 124.63 32.15 Favored Pre-proline 0 C--N 1.324 -0.538 0 C-N-CA 120.719 -0.392 . . . . 61.240000000000002 110.146 -175.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 77' ' ' ARG . 10.5 Cg_endo -54.53 122.06 10.89 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 122.51 2.14 . . . . 74.129999999999995 111.003 174.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.27 -22.94 54.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 75.530000000000001 111.762 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.57 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -67.99 -37.92 88.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 73.409999999999997 112.365 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -77.18 -21.45 53.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.294 0.569 . . . . 73.430000000000007 109.68 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.562 ' HZ ' HG21 ' A' ' 71' ' ' VAL . 49.9 t80 -84.7 1.11 47.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.405 -0.816 . . . . 72.150000000000006 110.146 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.6 t 70.45 90.52 0.08 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 115.363 -0.835 . . . . 53.450000000000003 110.823 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -86.98 157.38 8.6 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.876 2.384 . . . . 61.310000000000002 112.658 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -126.23 146.08 50.13 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.047 -0.524 . . . . 72.129999999999995 109.861 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -77.54 0.04 24.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.998 0.428 . . . . 61.149999999999999 110.766 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.1 4.24 60.63 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.03 -0.605 . . . . 45.219999999999999 111.921 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -71.22 124.44 24.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.185 0.517 . . . . 74.219999999999999 110.958 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.583 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 80.3 mtt85 -107.14 127.28 53.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.382 -0.826 . . . . 74.430000000000007 109.639 175.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.0 mt -103.52 94.84 5.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.162 -0.472 . . . . 71.340000000000003 110.303 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.901 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 8.5 t-80 -89.34 103.96 16.55 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.322 -0.621 . . . . 54.409999999999997 109.322 177.129 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.8 mt -65.43 126.5 24.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.795 -0.638 . . . . 74.409999999999997 110.552 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.53 HD11 ' HG2' ' A' ' 60' ' ' GLU . 31.3 mm -81.35 98.77 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.369 0.604 . . . . 61.439999999999998 110.656 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.404 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 24.6 m-20 -98.96 94.31 6.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.265 -0.88 . . . . 74.319999999999993 109.166 174.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 93.8 mt -82.73 -71.3 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.169 -0.468 . . . . 72.0 110.647 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 5.0 p-10 -153.42 146.14 17.51 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.924 -0.58 . . . . 72.409999999999997 110.424 -178.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 5.6 Cg_exo . . . . . 0 C--O 1.244 0.818 0 C-N-CA 123.155 2.57 . . . . 73.519999999999996 111.89 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 110.195 -0.298 . . . . 74.519999999999996 110.195 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.39 73.07 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.674 -0.774 . . . . 75.209999999999994 112.405 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -85.86 126.6 34.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.733 0.302 . . . . 74.430000000000007 110.964 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -117.42 89.0 3.02 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.921 0.867 . . . . 74.430000000000007 109.275 171.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -99.66 -10.63 21.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.122 -0.945 . . . . 54.539999999999999 110.489 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -68.08 97.73 0.72 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.183 0.516 . . . . 74.219999999999999 110.467 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -109.43 136.9 48.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.605 -0.725 . . . . 75.409999999999997 109.449 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -105.43 -91.85 0.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.95 0.352 . . . . 72.239999999999995 111.95 -178.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.3 m 59.88 -173.34 0.11 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 123.528 0.517 . . . . 71.420000000000002 110.052 -170.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -129.11 150.55 50.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.313 0.577 . . . . 64.400000000000006 111.547 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.52 79.96 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.258 -1.137 . . . . 45.009999999999998 110.258 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -81.55 57.69 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.202 0.525 . . . . 74.439999999999998 111.942 -169.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.08 64.1 1.22 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.536 0.684 . . . . 53.439999999999998 110.371 174.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.9 p -161.02 145.65 13.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.529 -0.759 . . . . 73.019999999999996 109.776 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 m -105.94 126.22 61.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.888 0.375 . . . . 63.020000000000003 110.914 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.606 ' HB2' ' HB2' ' A' ' 86' ' ' ASP . 74.1 m80 -88.52 80.76 7.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.046 0.45 . . . . 72.319999999999993 109.891 175.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.6 mt -71.52 121.51 18.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.772 -0.649 . . . . 64.340000000000003 110.425 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -85.11 89.32 7.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.861 0.362 . . . . 75.439999999999998 110.362 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.5 mt -71.23 121.81 21.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 70.439999999999998 109.866 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.9 m -136.43 149.05 48.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.352 -0.385 . . . . 54.530000000000001 109.974 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -99.34 177.58 5.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.743 0.306 . . . . 60.0 110.358 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 94' ' ' ASP . . . -89.72 -37.74 14.35 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.414 -0.587 . . . . 61.450000000000003 109.414 173.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -72.77 -31.5 64.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.157 -0.928 . . . . 73.040000000000006 110.427 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.8 mt -113.64 111.25 21.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 70.439999999999998 110.203 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -78.98 -36.08 41.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 72.150000000000006 110.628 -175.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 t -109.65 89.88 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.987 0.422 . . . . 75.140000000000001 109.958 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -112.99 112.05 23.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.2 -0.454 . . . . 74.219999999999999 109.977 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.5 m -75.32 97.37 3.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.534 . . . . 54.25 110.703 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.37 30.23 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.126 -0.488 . . . . 21.420000000000002 111.252 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -78.2 76.42 4.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.872 0.844 . . . . 74.310000000000002 110.724 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.574 ' O ' ' HA ' ' A' ' 16' ' ' HIS . . . -96.71 159.7 14.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.333 -0.849 . . . . 75.450000000000003 110.658 -178.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -92.12 112.44 24.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.186 0.517 . . . . 55.329999999999998 110.203 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -108.38 160.33 15.95 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.768 -0.651 . . . . 73.209999999999994 110.77 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.443 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 41.3 m -71.53 139.71 84.02 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 115.581 -0.736 . . . . 72.420000000000002 110.4 177.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 36.1 Cg_exo -61.48 -28.15 83.18 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 122.793 2.329 . . . . 51.420000000000002 112.711 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -90.48 15.61 10.43 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.284 0.476 . . . . 63.32 112.284 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 52.8 ttp -85.78 90.61 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.918 -0.771 . . . . 74.129999999999995 108.918 173.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.0 p -85.01 170.25 13.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.0 -0.545 . . . . 65.349999999999994 111.466 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.744 ' HA ' HG12 ' A' ' 42' ' ' VAL . 55.4 t -68.6 -33.53 60.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 64.019999999999996 109.396 175.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.766 ' HB2' ' HA ' ' A' ' 76' ' ' SER . 38.9 tt0 -54.77 -40.97 69.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.677 -0.692 . . . . 60.420000000000002 110.442 175.028 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.65 -44.22 43.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.887 -0.597 . . . . 74.420000000000002 111.122 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.744 HG12 ' HA ' ' A' ' 39' ' ' VAL . 4.7 p -69.97 -25.98 29.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.394 -0.367 . . . . 55.340000000000003 111.55 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -59.46 -39.12 82.62 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.479 0.18 . . . . 75.140000000000001 110.813 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -67.12 -41.18 86.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.497 0.665 . . . . 53.140000000000001 110.116 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -71.75 -45.47 61.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.356 -0.838 . . . . 74.540000000000006 111.248 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.5 ' HG ' HG22 ' A' ' 42' ' ' VAL . 95.0 mt -73.28 -23.7 60.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.358 -0.383 . . . . 53.200000000000003 111.371 -178.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -58.48 -52.46 65.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.408 -0.36 . . . . 74.209999999999994 110.825 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -69.63 -25.95 64.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.342 -0.39 . . . . 74.549999999999997 111.409 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.491 ' NZ ' ' HA ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -67.61 -37.88 83.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 74.409999999999997 110.564 178.24 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.2 m -90.24 -36.86 14.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.056 -0.52 . . . . 71.209999999999994 111.228 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.94 14.81 81.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 52.240000000000002 111.541 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.1 m -153.13 166.28 32.98 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.636 -0.876 . . . . 64.540000000000006 108.636 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -60.45 135.84 57.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.894 0.378 . . . . 63.200000000000003 110.319 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.8 m -86.24 24.93 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.23 -0.441 . . . . 73.519999999999996 111.403 -174.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -64.62 -41.52 96.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.849 -0.614 . . . . 75.219999999999999 111.537 -176.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.2 m -73.57 -20.01 60.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.977 0.418 . . . . 54.439999999999998 111.851 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.0 ttp -90.71 91.23 8.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.029 0.442 . . . . 55.240000000000002 110.613 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.56 145.08 27.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.989 -0.55 . . . . 64.209999999999994 111.22 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.5 mt -103.52 108.71 20.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 74.219999999999999 110.778 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.721 ' HG3' HD11 ' A' ' 93' ' ' ILE . 3.2 mm-40 -80.37 108.98 14.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.247 -0.433 . . . . 74.120000000000005 110.278 175.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.543 ' HG ' HG23 ' A' ' 69' ' ' VAL . 36.4 tp -91.96 100.4 13.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.099 -0.501 . . . . 52.119999999999997 110.291 -178.545 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -98.98 152.37 19.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.966 -0.561 . . . . 72.310000000000002 111.082 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -126.03 -173.04 2.75 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.58 -0.896 . . . . 75.310000000000002 108.58 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -113.74 -1.3 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.14 0.422 . . . . 73.430000000000007 112.14 -176.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 t -103.29 -44.98 5.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.09 0.471 . . . . 53.420000000000002 110.136 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -102.42 -105.31 2.9 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.761 -0.654 . . . . 62.340000000000003 111.494 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.0 m -158.79 -60.43 0.07 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.942 0.401 . . . . 75.319999999999993 109.943 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -126.49 120.06 28.75 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.082 -0.508 . . . . 54.439999999999998 110.154 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.543 HG23 ' HG ' ' A' ' 61' ' ' LEU . 11.9 m -112.09 23.13 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.086 0.469 . . . . 75.049999999999997 110.77 178.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.56 94.17 2.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.907 -0.588 . . . . 72.420000000000002 111.017 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.11 -51.75 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.928 -0.578 . . . . 60.25 110.279 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 25.5 tp 65.52 27.3 11.65 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.65 -0.704 . . . . 63.100000000000001 111.066 174.217 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.4 t -121.2 -3.71 9.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.229 1.014 . . . . 73.409999999999997 108.564 174.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -101.43 5.4 42.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.047 -1.433 . . . . 72.25 110.442 -177.602 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -60.51 -43.92 96.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.644 -0.707 . . . . 72.430000000000007 112.183 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.766 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 54.7 m -93.63 6.93 46.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.155 0.502 . . . . 63.210000000000001 111.012 -175.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -107.35 150.85 40.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.078 -0.712 . . . . 61.240000000000002 109.078 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.402 ' HG2' ' HB2' ' A' ' 81' ' ' PHE . 9.2 Cg_endo -55.71 124.21 15.73 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.879 1.72 . . . . 74.129999999999995 110.605 172.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.881 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 27.8 tp -58.16 -38.13 76.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.991 0.424 . . . . 75.530000000000001 111.498 -173.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.16 -12.65 69.1 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.423 -0.418 . . . . 73.409999999999997 112.644 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.402 ' HB2' ' HG2' ' A' ' 78' ' ' PRO . 61.3 t80 -84.24 -27.3 28.04 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.238 -0.653 . . . . 73.430000000000007 109.238 177.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -82.96 -32.31 27.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.238 -0.892 . . . . 72.150000000000006 109.354 173.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.8 t 72.43 87.27 0.1 Allowed Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 115.055 -0.975 . . . . 53.450000000000003 110.992 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.881 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 60.8 Cg_endo -96.0 -166.84 0.12 Allowed 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.392 2.728 . . . . 61.310000000000002 112.008 176.012 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -137.09 157.31 46.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.401 -0.363 . . . . 72.129999999999995 110.146 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.606 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . 7.8 p-10 -80.84 4.0 20.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.187 -0.46 . . . . 61.149999999999999 110.998 -178.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.31 -6.02 69.17 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.583 -0.818 . . . . 45.219999999999999 112.316 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.526 ' HB3' HD11 ' A' ' 61' ' ' LEU . 47.7 m-85 -87.4 153.81 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.025 0.441 . . . . 74.219999999999999 110.752 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 89' ' ' ARG . 57.4 mtt85 -122.66 132.56 54.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.963 -0.562 . . . . 74.430000000000007 110.918 -176.039 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.1 mt -95.02 96.25 9.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.989 -0.551 . . . . 71.340000000000003 109.659 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -90.73 97.06 10.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.047 -0.524 . . . . 54.409999999999997 110.474 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.65 124.07 19.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.854 -0.612 . . . . 74.409999999999997 110.193 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.721 HD11 ' HG3' ' A' ' 60' ' ' GLU . 46.4 mm -80.09 116.93 25.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.029 0.442 . . . . 61.439999999999998 110.972 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.402 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 13.0 m-20 -88.94 110.88 21.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.815 -0.629 . . . . 74.319999999999993 109.781 176.37 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.63 ' HG ' HG22 ' A' ' 93' ' ' ILE . 96.9 mt -120.08 -80.11 0.61 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.919 0.39 . . . . 72.0 110.546 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 9.1 p-10 -155.41 120.2 2.52 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.104 -0.498 . . . . 72.409999999999997 110.548 -178.011 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 11.2 Cg_endo . . . . . 0 C--O 1.248 1.013 0 C-N-CA 123.436 2.757 . . . . 73.519999999999996 111.632 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.942 0.401 . . . . 74.519999999999996 110.216 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.84 155.37 22.88 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.922 -0.871 . . . . 75.209999999999994 110.922 -174.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -140.57 105.28 4.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.455 0.628 . . . . 74.430000000000007 110.931 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -88.19 67.2 8.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.22 1.01 . . . . 74.430000000000007 109.441 171.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -95.31 1.69 54.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.847 -1.07 . . . . 54.539999999999999 110.43 -175.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -90.07 129.94 36.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 74.219999999999999 110.681 -177.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 49.7 t-80 -142.74 142.42 31.95 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.826 -0.805 . . . . 75.409999999999997 108.826 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -81.16 -78.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.878 0.325 . . . . 72.239999999999995 111.878 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.8 m 72.73 163.73 0.28 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.866 0.728 . . . . 71.420000000000002 110.589 -172.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -126.87 171.55 11.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.13 -0.486 . . . . 64.400000000000006 109.751 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 128.63 132.71 3.57 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.581 -0.819 . . . . 45.009999999999998 112.196 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -92.1 77.06 5.35 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.572 -0.529 . . . . 74.439999999999998 109.572 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -156.27 29.4 0.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.803 -0.635 . . . . 53.439999999999998 110.812 -175.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.602 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 14.7 p -137.6 119.52 15.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.064 -0.516 . . . . 73.019999999999996 111.677 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -83.67 123.09 38.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.562 -0.903 . . . . 63.020000000000003 108.562 169.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -89.46 94.94 10.07 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.082 0.468 . . . . 72.319999999999993 110.511 -172.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.496 HD13 HD11 ' A' ' 90' ' ' LEU . 88.9 mt -101.97 123.57 46.1 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.675 -0.693 . . . . 64.340000000000003 110.359 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -98.38 107.41 19.86 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.136 -0.69 . . . . 75.439999999999998 109.136 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.4 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 61.8 mt -81.15 133.91 28.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.543 -0.299 . . . . 70.439999999999998 110.66 -175.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.5 m -142.88 142.42 31.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.316 -0.402 . . . . 54.530000000000001 110.446 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.95 168.48 10.94 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.507 -0.553 . . . . 60.0 109.507 -178.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB2' ' H ' ' A' ' 94' ' ' ASP . . . -73.97 -57.04 4.23 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.879 -0.329 . . . . 61.450000000000003 111.232 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -71.74 -45.01 63.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.228 0.537 . . . . 73.040000000000006 110.313 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.3 mt -80.28 81.77 6.46 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.242 -0.651 . . . . 70.439999999999998 109.242 172.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -74.84 -29.6 61.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.731 -0.668 . . . . 72.150000000000006 110.442 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 t -97.95 60.76 1.5 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.915 -0.772 . . . . 75.140000000000001 108.915 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -106.07 94.42 5.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.543 -0.753 . . . . 74.219999999999999 109.668 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -82.73 82.05 8.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.006 -0.543 . . . . 54.25 110.802 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.4 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -113.17 97.65 6.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.093 -0.503 . . . . 21.420000000000002 109.818 175.199 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -101.63 125.05 48.22 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.359 -0.382 . . . . 74.310000000000002 110.526 -175.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.71 168.49 19.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.147 0.499 . . . . 75.450000000000003 111.558 -176.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.602 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 30.2 ptt180 -133.52 130.72 38.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.631 -0.713 . . . . 55.329999999999998 109.828 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.67 -170.6 2.29 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.479 -0.328 . . . . 73.209999999999994 110.386 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.448 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 9.5 p -103.19 148.5 35.75 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.335 -0.393 . . . . 72.420000000000002 110.571 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 13.4 Cg_exo -70.76 2.39 4.14 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.026 2.484 . . . . 51.420000000000002 112.641 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -85.45 -13.53 48.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.943 -0.571 . . . . 63.32 110.362 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 57.5 ttp -90.9 115.56 28.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 74.129999999999995 110.504 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.8 p -96.16 175.13 6.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.096 -0.502 . . . . 65.349999999999994 110.389 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.468 HG12 ' HE3' ' A' ' 43' ' ' LYS . 48.0 t -66.07 -39.09 83.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.972 0.415 . . . . 64.019999999999996 110.107 178.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.18 -33.04 73.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.255 0.55 . . . . 60.420000000000002 110.497 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.33 -46.96 75.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.817 -0.629 . . . . 74.420000000000002 111.173 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 p -71.79 -30.86 39.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 120.759 -0.376 . . . . 55.340000000000003 110.341 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HE3' HG12 ' A' ' 39' ' ' VAL . 96.3 mttt -57.35 -46.39 83.36 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.934 0.397 . . . . 75.140000000000001 110.589 176.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -59.38 -41.33 89.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.577 -0.738 . . . . 53.140000000000001 111.04 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -73.93 -35.66 64.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.37 -0.377 . . . . 74.540000000000006 110.909 -175.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.56 -35.34 78.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.356 0.598 . . . . 53.200000000000003 109.891 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.536 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 34.2 t90 -68.14 -17.34 64.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.122 -0.944 . . . . 74.209999999999994 110.679 176.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -97.91 -37.36 9.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.478 -0.328 . . . . 74.549999999999997 111.053 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -63.34 -52.9 59.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.073 -0.512 . . . . 74.409999999999997 111.325 -177.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.5 m -124.83 -3.35 7.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.611 -0.268 . . . . 71.209999999999994 111.499 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' A' ' 47' ' ' TRP . . . 70.97 29.03 69.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.543 -0.837 . . . . 52.240000000000002 111.283 -175.164 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 m -74.6 112.26 10.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.737 0.303 . . . . 64.540000000000006 110.982 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.0 m -64.23 119.75 10.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.558 -0.534 . . . . 63.200000000000003 109.558 174.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.25 -6.16 6.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.197 -0.456 . . . . 73.519999999999996 112.075 -174.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -68.05 -35.54 78.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.261 0.553 . . . . 75.219999999999999 110.079 174.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 3.6 p -101.65 21.69 14.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.661 -0.7 . . . . 54.439999999999998 111.204 -177.445 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.441 ' HB3' ' HE2' ' A' ' 57' ' ' MET . 48.2 ttp -145.88 100.29 3.38 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.105 0.479 . . . . 55.240000000000002 110.174 178.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.47 145.07 26.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.951 -0.568 . . . . 64.209999999999994 110.766 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.9 mt -109.01 103.47 12.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.155 0.502 . . . . 74.219999999999999 110.091 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.1 97.69 10.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.759 -0.655 . . . . 74.120000000000005 110.564 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.619 ' HG ' HG23 ' A' ' 69' ' ' VAL . 34.0 tp -84.79 97.36 9.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.781 -0.645 . . . . 52.119999999999997 109.528 178.272 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -94.5 159.03 15.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.746 -0.661 . . . . 72.310000000000002 110.529 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -118.11 -168.89 1.59 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.159 -1.052 . . . . 75.310000000000002 108.159 168.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -103.76 -21.59 13.66 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.629 -0.429 . . . . 73.430000000000007 111.95 -175.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.5 t -100.95 -41.79 6.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.838 0.352 . . . . 53.420000000000002 111.22 -171.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.76 -105.76 2.8 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.64 -0.79 . . . . 62.340000000000003 112.237 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -157.63 -68.79 0.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.991 0.424 . . . . 75.319999999999993 110.517 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -117.19 124.18 48.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 54.439999999999998 111.047 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.619 HG23 ' HG ' ' A' ' 61' ' ' LEU . 12.1 m -111.91 6.91 8.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.351 0.596 . . . . 75.049999999999997 110.11 173.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.585 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -81.51 97.46 7.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.512 -0.767 . . . . 72.420000000000002 110.448 176.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.518 ' HB ' ' OD2' ' A' ' 74' ' ' ASP . 47.4 t -82.19 -41.58 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.571 -0.286 . . . . 60.25 110.646 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.8 mp 65.57 30.4 10.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.574 0.702 . . . . 63.100000000000001 111.281 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 t -116.4 11.2 14.88 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.462 -1.681 . . . . 73.409999999999997 106.462 166.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.518 ' OD2' ' HB ' ' A' ' 71' ' ' VAL . 1.2 p30 -135.35 -0.43 2.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 113.184 -1.825 . . . . 72.25 110.203 -173.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -61.06 -36.25 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 72.430000000000007 111.824 -173.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.39 14.92 20.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.152 0.501 . . . . 63.210000000000001 110.729 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.541 ' HB3' ' HD2' ' A' ' 78' ' ' PRO . 45.0 mmm-85 -106.09 165.13 13.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.229 -0.656 . . . . 61.240000000000002 109.229 178.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.541 ' HD2' ' HB3' ' A' ' 77' ' ' ARG . 20.6 Cg_endo -62.29 110.79 1.11 Allowed 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 121.993 1.795 . . . . 74.129999999999995 111.759 174.815 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.565 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 50.5 tp -61.97 -27.93 69.2 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.113 -0.494 . . . . 75.530000000000001 111.164 -177.17 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.78 -22.47 64.33 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.261 -0.495 . . . . 73.409999999999997 112.741 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -78.98 -22.36 45.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.105 0.478 . . . . 73.430000000000007 109.992 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -80.04 -25.69 40.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 72.150000000000006 110.882 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.5 t 65.38 85.46 0.16 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 115.683 -0.69 . . . . 53.450000000000003 109.827 -174.306 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.565 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 6.1 Cg_exo -74.52 156.03 45.2 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 123.259 2.639 . . . . 61.310000000000002 113.258 -175.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -100.63 -176.03 3.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.303 -0.862 . . . . 72.129999999999995 110.048 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -107.2 8.25 29.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.684 0.278 . . . . 61.149999999999999 111.303 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -113.1 25.58 11.29 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.535 -0.841 . . . . 45.219999999999999 112.948 -178.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.583 ' HB3' HD11 ' A' ' 61' ' ' LEU . 14.0 m-30 -80.83 125.35 29.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.982 0.42 . . . . 74.219999999999999 111.33 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -108.11 116.32 31.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.02 -0.536 . . . . 74.430000000000007 110.759 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.496 HD11 HD13 ' A' ' 17' ' ' LEU . 95.9 mt -88.15 86.66 7.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.21 -0.45 . . . . 71.340000000000003 109.978 177.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -91.8 97.88 11.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.862 0.363 . . . . 54.409999999999997 110.075 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.24 126.61 27.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.754 -0.657 . . . . 74.409999999999997 110.496 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.3 mm -88.06 91.17 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.287 -0.635 . . . . 61.439999999999998 109.287 175.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.466 ' H ' ' HB2' ' A' ' 22' ' ' ALA . 19.7 m-20 -71.68 103.59 3.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.146 -0.934 . . . . 74.319999999999993 111.396 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 56' ' ' SER . 90.9 mt -105.17 -161.98 0.85 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.893 -0.78 . . . . 72.0 108.893 173.045 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 8.8 p-10 -81.63 118.39 71.99 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.98 0.419 . . . . 72.409999999999997 110.695 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 12.2 Cg_endo . . . . . 0 N--CA 1.45 -1.05 0 C-N-CA 123.196 2.597 . . . . 73.519999999999996 111.562 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptm . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 110.522 -0.177 . . . . 73.349999999999994 110.522 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 3' ' ' HIS . . . 75.61 -66.46 2.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.365 -0.445 . . . . 62.530000000000001 113.777 174.023 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 2' ' ' GLY . 90.2 m-70 67.95 89.19 0.1 Allowed 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.039 0.535 . . . . 74.150000000000006 109.832 -171.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -58.26 103.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.593 -0.731 . . . . 72.409999999999997 110.875 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -100.66 95.23 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.85 -0.614 . . . . 73.120000000000005 109.87 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -143.97 93.73 2.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.106 -0.497 . . . . 71.040000000000006 109.679 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -137.48 137.77 39.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.886 -0.597 . . . . 71.109999999999999 109.951 -176.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -92.34 143.59 26.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.198 -0.456 . . . . 73.140000000000001 110.348 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.2 t -158.13 100.35 1.7 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.975 0.417 . . . . 75.420000000000002 111.139 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -92.74 -0.2 57.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.069 -0.715 . . . . 62.539999999999999 109.069 172.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.46 -35.4 29.43 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.779 -0.724 . . . . 74.120000000000005 111.379 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.8 t0 61.44 41.32 12.9 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.736 0.779 . . . . 65.329999999999998 110.109 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.05 -28.57 70.18 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.193 -0.912 . . . . 72.310000000000002 110.51 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.7 m -59.68 125.05 22.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.545 -0.752 . . . . 52.509999999999998 111.22 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.0 m -70.59 137.65 23.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.849 -0.614 . . . . 62.130000000000003 109.589 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -93.54 83.55 4.53 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.136 0.493 . . . . 45.109999999999999 110.155 -174.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.5 mt -96.6 106.07 18.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.825 -0.625 . . . . 75.209999999999994 110.008 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -79.78 126.12 30.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.178 -0.465 . . . . 71.209999999999994 110.941 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.532 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 76.7 mt -85.04 120.7 35.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.535 -0.757 . . . . 74.120000000000005 110.512 -178.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.525 ' HB ' ' HA ' ' A' ' 91' ' ' HIS . 5.1 m -96.72 92.71 6.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.838 -0.619 . . . . 72.519999999999996 109.375 177.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -81.41 129.16 34.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.699 -0.682 . . . . 73.430000000000007 110.227 -176.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.02 -56.64 4.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.046 0.387 . . . . 65.109999999999999 112.046 -174.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -61.55 -61.74 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 74.230000000000004 111.554 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mp -96.97 88.02 4.41 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.466 -0.568 . . . . 72.409999999999997 109.466 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -85.55 -6.23 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.949 -0.568 . . . . 72.129999999999995 111.746 -175.175 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 t -97.93 1.65 48.24 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.344 -0.613 . . . . 61.420000000000002 109.344 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -95.32 98.67 10.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.525 -0.761 . . . . 62.240000000000002 109.585 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.5 m -86.31 102.76 14.27 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.039 -0.528 . . . . 73.25 110.804 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -123.19 141.66 51.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.862 -0.608 . . . . 53.509999999999998 109.688 175.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -126.09 145.63 50.26 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.004 -0.369 . . . . 65.319999999999993 110.004 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.44 94.72 9.25 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.949 -0.569 . . . . 73.439999999999998 109.636 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -101.53 91.16 4.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.841 0.829 . . . . 73.140000000000001 110.456 -178.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -130.89 150.62 51.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.518 -0.765 . . . . 71.209999999999994 109.911 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 36' ' ' GLN . 31.7 m -65.1 135.41 96.27 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.091 -0.504 . . . . 74.049999999999997 109.898 177.132 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.568 ' HB2' ' N ' ' A' ' 80' ' ' GLY . 63.4 Cg_endo -71.53 20.89 0.25 Allowed 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.144 2.563 . . . . 65.310000000000002 113.398 -174.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' A' ' 34' ' ' SER . 66.2 mt-30 -88.26 -11.61 46.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.383 0.611 . . . . 73.5 109.633 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.2 ttt -95.98 146.95 24.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.251 -0.886 . . . . 73.519999999999996 110.192 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.3 p -98.06 149.3 22.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.18 -0.463 . . . . 71.349999999999994 110.527 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 42' ' ' VAL . 11.1 p -64.36 -22.12 30.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.358 0.599 . . . . 73.400000000000006 110.227 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -57.46 -35.92 70.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.597 -0.729 . . . . 54.100000000000001 111.226 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.71 -17.29 48.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.397 0.517 . . . . 75.230000000000004 112.397 -173.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 39' ' ' VAL . 9.3 p -92.76 -29.2 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.739 -0.384 . . . . 75.340000000000003 111.455 -176.169 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -61.99 -52.42 64.07 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.795 0.331 . . . . 65.549999999999997 111.127 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.04 -36.94 75.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.146 0.498 . . . . 70.340000000000003 110.862 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' HB2' ' HE3' ' A' ' 45' ' ' LYS . 29.5 ttmt -66.87 -33.41 75.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.841 -0.618 . . . . 74.109999999999999 111.106 -176.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.4 mt -75.15 -42.18 56.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 64.420000000000002 110.326 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -58.35 -42.39 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.896 -0.593 . . . . 62.350000000000001 111.086 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.37 -8.62 59.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.458 -0.337 . . . . 75.329999999999998 111.546 -176.781 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -98.99 -54.97 2.84 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.028 -0.269 . . . . 75.549999999999997 111.309 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 60.8 m -83.77 -36.49 23.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.433 -0.349 . . . . 73.230000000000004 111.371 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.15 -5.62 59.34 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.565 -0.826 . . . . 40.43 112.664 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.4 t -87.72 162.67 16.93 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.786 -0.45 . . . . 65.019999999999996 109.786 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 m -91.81 122.66 34.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.734 0.302 . . . . 74.239999999999995 111.239 -174.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.11 -15.85 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.324 -0.398 . . . . 73.030000000000001 111.278 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -71.15 -16.83 62.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.244 0.545 . . . . 63.420000000000002 110.188 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.7 m -107.0 4.27 26.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 52.420000000000002 110.249 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.7 ttt -85.54 100.9 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.88 -0.6 . . . . 71.120000000000005 110.484 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.71 110.53 15.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 74.25 111.001 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.415 ' CD2' HG12 ' A' ' 92' ' ' ILE . 94.6 mt -109.87 110.43 21.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 65.219999999999999 110.189 177.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.808 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 44.2 mt-10 -93.01 104.56 16.76 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.808 0.337 . . . . 74.230000000000004 110.324 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.483 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 51.4 tp -85.31 94.09 8.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.974 -0.557 . . . . 74.409999999999997 109.754 178.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.596 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 16.9 m-85 -89.13 149.49 23.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.025 -0.534 . . . . 64.25 111.214 -178.524 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.446 ' HB3' HG13 ' A' ' 69' ' ' VAL . 4.5 p-10 -85.12 0.41 51.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.349 -0.841 . . . . 64.310000000000002 109.391 173.267 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 63' ' ' ASP . 26.0 t70 89.19 -24.75 0.09 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.959 1.304 . . . . 71.030000000000001 112.054 178.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.3 p -78.88 -28.6 44.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.288 -0.565 . . . . 62.340000000000003 109.84 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.26 -3.92 2.51 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.826 -0.702 . . . . 75.109999999999999 112.434 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.4 m -101.09 142.7 32.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.78 0.324 . . . . 55.140000000000001 110.551 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -86.79 126.97 34.97 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.713 -0.477 . . . . 74.5 109.713 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.446 HG13 ' HB3' ' A' ' 63' ' ' ASP . 31.0 m -102.88 19.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.738 0.78 . . . . 71.049999999999997 110.036 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.483 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -84.63 105.58 15.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.189 -0.914 . . . . 75.219999999999999 111.613 -177.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -111.08 -31.88 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.915 -0.584 . . . . 74.409999999999997 109.791 171.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 72' ' ' LEU . 4.3 mm? 55.37 81.37 0.12 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.174 -0.921 . . . . 55.299999999999997 113.129 174.302 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.7 t -127.69 7.13 6.22 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.08 -0.711 . . . . 52.409999999999997 109.08 170.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -114.36 26.23 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.368 -0.833 . . . . 61.350000000000001 110.571 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.404 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.4 t70 -54.46 -51.8 63.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 71.439999999999998 111.135 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.2 m -99.27 5.69 46.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.742 -0.663 . . . . 54.350000000000001 111.482 -175.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -100.08 150.5 36.94 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.592 -0.276 . . . . 62.409999999999997 110.536 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.53 125.55 13.51 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.477 2.118 . . . . 70.120000000000005 111.311 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.7 tp -61.49 -24.82 66.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.332 -0.394 . . . . 64.150000000000006 111.521 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.568 ' N ' ' HB2' ' A' ' 35' ' ' PRO . . . -65.0 -31.1 79.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.264 -0.493 . . . . 64.400000000000006 112.459 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -73.99 -40.33 63.03 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.753 -0.462 . . . . 74.219999999999999 109.753 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -65.04 -42.87 93.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.596 -0.729 . . . . 64.340000000000003 110.037 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.1 t 63.33 89.72 0.1 Allowed Pre-proline 0 C--O 1.233 0.197 0 CA-C-N 115.401 -0.818 . . . . 64.310000000000002 110.55 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -80.93 159.6 21.05 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.569 2.179 . . . . 74.450000000000003 112.849 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -57.93 -25.53 61.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.495 -0.775 . . . . 74.310000000000002 111.785 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.9 t70 68.35 88.06 0.11 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.31 0.576 . . . . 72.540000000000006 110.204 -176.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 142.03 60.77 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.709 -0.678 . . . . 73.230000000000004 111.424 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -122.12 153.57 38.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.27 -0.27 . . . . 73.409999999999997 110.27 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.596 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 40.4 mmt180 -97.06 108.99 21.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.298 -0.41 . . . . 63.039999999999999 110.349 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.532 ' HB2' ' HA ' ' A' ' 19' ' ' ILE . 98.7 mt -83.29 85.65 7.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.711 -0.477 . . . . 72.319999999999993 109.711 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.808 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 12.1 t-80 -81.65 99.42 8.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.015 0.436 . . . . 55.509999999999998 110.258 -177.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.415 HG12 ' CD2' ' A' ' 59' ' ' LEU . 57.9 mt -86.12 119.87 35.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.753 -0.658 . . . . 42.310000000000002 109.883 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.446 HG22 ' HB3' ' A' ' 95' ' ' LEU . 46.7 mm -82.0 112.6 20.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.185 -0.461 . . . . 64.540000000000006 110.22 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -79.56 72.11 6.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.198 0.523 . . . . 53.32 109.684 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.536 HD23 ' H ' ' A' ' 95' ' ' LEU . 2.4 pt? -97.29 9.09 43.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.955 -0.566 . . . . 64.030000000000001 110.494 -178.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 18.2 t70 -82.24 107.62 9.3 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.684 -0.689 . . . . 72.5 110.192 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 9.5 Cg_endo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 123.322 2.681 . . . . 72.549999999999997 112.096 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptm . . . . . 0 N--CA 1.483 1.218 0 N-CA-C 110.098 -0.334 . . . . 73.349999999999994 110.098 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 168.58 -149.24 13.6 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.426 -0.893 . . . . 62.530000000000001 112.449 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 63.02 89.54 0.09 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.582 0.705 . . . . 74.150000000000006 110.361 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -96.29 101.86 13.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.407 -0.815 . . . . 72.409999999999997 111.13 -171.485 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -96.49 94.93 7.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.288 0.566 . . . . 73.120000000000005 110.0 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -152.75 33.25 0.49 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.409 -0.814 . . . . 71.040000000000006 109.255 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -73.9 113.42 11.03 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.207 -0.664 . . . . 71.109999999999999 109.207 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -87.39 108.09 18.83 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.106 -0.497 . . . . 73.140000000000001 111.416 -169.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -124.79 139.04 54.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.616 -0.72 . . . . 75.420000000000002 109.132 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -124.03 98.03 5.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.311 0.577 . . . . 62.539999999999999 111.303 -176.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.15 -106.37 0.2 Allowed Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.831 -0.908 . . . . 74.120000000000005 110.831 176.006 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -135.54 43.14 2.64 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.99 0.9 . . . . 65.329999999999998 108.719 172.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.44 44.44 0.2 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.678 -1.146 . . . . 72.310000000000002 111.143 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 m -147.41 95.09 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.302 0.482 . . . . 52.509999999999998 112.302 -174.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.5 m -71.69 145.7 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.574 -0.899 . . . . 62.130000000000003 108.574 167.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -95.82 88.09 4.84 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.186 -0.606 . . . . 45.109999999999999 110.872 -174.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.6 ' HB3' HD11 ' A' ' 90' ' ' LEU . 98.0 mt -111.92 137.66 49.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 75.209999999999994 110.236 176.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -112.64 111.22 21.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.478 -0.328 . . . . 71.209999999999994 110.208 -177.599 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.535 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 68.3 mt -74.05 118.31 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.91 0.386 . . . . 74.120000000000005 110.443 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.593 ' HB ' ' HA ' ' A' ' 91' ' ' HIS . 5.4 m -116.57 108.94 16.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.025 -0.534 . . . . 72.519999999999996 110.653 -176.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -87.83 151.98 22.45 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.341 -0.614 . . . . 73.430000000000007 109.341 179.219 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.99 -54.74 4.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.81 0.338 . . . . 65.109999999999999 111.621 -174.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -79.22 -32.09 43.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.162 0.506 . . . . 74.230000000000004 110.544 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 27' ' ' PHE . 8.1 mp -99.81 83.35 2.73 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.036 -0.727 . . . . 72.409999999999997 109.036 173.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -75.87 -13.9 60.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.826 -0.625 . . . . 72.129999999999995 111.962 -172.676 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -109.67 27.14 9.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.324 0.583 . . . . 61.420000000000002 110.223 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 70.5 t80 -81.1 89.68 5.98 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.866 -0.606 . . . . 62.240000000000002 109.398 176.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -78.65 102.2 7.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.081 -0.509 . . . . 73.25 110.555 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.41 123.77 20.68 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.072 -0.513 . . . . 53.509999999999998 110.521 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -101.05 143.56 31.03 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.003 -0.544 . . . . 65.319999999999993 109.673 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.5 ' HB3' ' HB2' ' A' ' 17' ' ' LEU . . . -117.9 99.87 7.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.139 -0.482 . . . . 73.439999999999998 110.291 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -122.27 103.14 8.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.84 -0.618 . . . . 73.140000000000001 110.757 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -126.34 173.12 9.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.384 -0.825 . . . . 71.209999999999994 109.475 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.2 p -67.48 143.97 97.5 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.596 -0.274 . . . . 74.049999999999997 110.413 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.588 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 34.8 Cg_endo -65.34 -2.77 6.44 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.984 2.456 . . . . 65.310000000000002 112.905 -177.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.443 ' HA ' ' HB3' ' A' ' 78' ' ' PRO . 74.9 mt-30 -85.47 -7.53 58.86 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.079 0.466 . . . . 73.5 110.421 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.1 ttt -82.79 151.07 26.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.849 -0.614 . . . . 73.519999999999996 110.32 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 23.9 p -120.71 164.6 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.218 -0.446 . . . . 71.349999999999994 109.992 176.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' ' 42' ' ' VAL . 10.6 p -65.49 -21.22 28.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 121.508 0.671 . . . . 73.400000000000006 110.036 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -54.27 -36.65 63.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.234 -0.894 . . . . 54.100000000000001 111.043 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.23 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.546 . . . . 75.230000000000004 111.745 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 39' ' ' VAL . 9.2 p -82.96 -28.73 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.569 -0.452 . . . . 75.340000000000003 110.213 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -62.64 -54.06 45.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 65.549999999999997 110.226 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.64 -35.01 75.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.677 -0.692 . . . . 70.340000000000003 110.69 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -62.78 -53.69 50.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.94 -0.573 . . . . 74.109999999999999 110.835 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.85 -28.34 64.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 64.420000000000002 110.936 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -55.13 -53.78 51.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 62.350000000000001 111.097 176.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HB2' ' NZ ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -90.42 9.79 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 75.329999999999998 111.129 -178.859 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -100.7 -53.04 3.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.068 0.461 . . . . 75.549999999999997 110.043 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 79.6 m -100.39 -21.86 15.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.051 -0.522 . . . . 73.230000000000004 111.408 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.06 40.49 93.11 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.524 -0.846 . . . . 40.43 111.905 -178.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -105.87 172.31 6.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.914 0.388 . . . . 65.019999999999996 110.435 -176.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.9 m -85.04 135.16 34.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.093 -0.503 . . . . 74.239999999999995 110.366 -177.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 m -71.55 -28.01 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 73.030000000000001 111.972 -176.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.89 -26.87 63.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.24 0.543 . . . . 63.420000000000002 110.116 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.8 m -79.47 -9.64 59.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.661 -0.7 . . . . 52.420000000000002 110.677 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.599 ' HE2' HD21 ' A' ' 59' ' ' LEU . 27.9 ttt -95.0 85.19 4.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.055 0.455 . . . . 71.120000000000005 110.303 -178.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.1 109.41 20.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.843 -0.617 . . . . 74.25 110.213 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.599 HD21 ' HE2' ' A' ' 57' ' ' MET . 94.1 mt -89.85 105.06 17.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.064 -0.516 . . . . 65.219999999999999 110.143 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.663 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 50.1 mm-40 -78.56 86.49 4.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.924 -0.58 . . . . 74.230000000000004 110.324 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 31.0 tp -89.43 104.13 16.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.541 -0.754 . . . . 74.409999999999997 110.087 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.499 ' CZ ' ' HB3' ' A' ' 60' ' ' GLU . 50.9 m-85 -102.18 151.44 22.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.99 -0.55 . . . . 64.25 110.561 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -84.24 -2.14 56.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.058 -0.519 . . . . 64.310000000000002 109.682 173.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.0 t70 81.28 -2.06 1.71 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.64 -1.164 . . . . 71.030000000000001 111.63 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 m -96.73 -38.42 9.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.687 -0.486 . . . . 62.340000000000003 109.687 173.567 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.32 -11.1 0.88 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 75.109999999999999 112.568 178.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.8 m -92.13 131.82 37.09 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.054 0.454 . . . . 55.140000000000001 110.601 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -71.27 127.97 34.34 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.212 0.53 . . . . 74.5 109.653 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.495 HG23 ' HG ' ' A' ' 61' ' ' LEU . 29.6 m -113.96 17.87 7.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-O 121.588 0.709 . . . . 71.049999999999997 109.701 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -84.01 60.51 5.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.072 -0.967 . . . . 75.219999999999999 111.536 -177.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.05 87.46 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.083 0.944 . . . . 74.409999999999997 109.36 173.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 1.032 ' HB3' ' HB3' ' A' ' 75' ' ' ASP . 3.0 mm? -90.68 82.81 5.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.473 -0.785 . . . . 55.299999999999997 111.274 -172.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.4 t -84.79 -30.51 24.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.725 -0.67 . . . . 52.409999999999997 109.412 173.74 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -103.58 27.42 7.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.401 -0.818 . . . . 61.350000000000001 109.753 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 1.032 ' HB3' ' HB3' ' A' ' 72' ' ' LEU . 20.0 p-10 -61.61 -27.29 68.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.674 -0.693 . . . . 71.439999999999998 111.472 -177.518 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 p -98.29 14.77 26.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.929 -0.578 . . . . 54.350000000000001 111.178 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -129.35 161.08 60.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.982 -0.377 . . . . 62.409999999999997 109.982 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.443 ' HB3' ' HA ' ' A' ' 36' ' ' GLN . 51.0 Cg_exo -55.8 125.91 20.66 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.508 2.139 . . . . 70.120000000000005 112.434 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.9 tp -60.59 -34.59 74.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.176 0.512 . . . . 64.150000000000006 111.183 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.588 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -70.92 -14.9 73.63 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.78 -0.646 . . . . 64.400000000000006 113.01 -177.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -70.11 -45.02 67.77 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.583 -0.525 . . . . 74.219999999999999 109.583 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -75.6 -40.35 56.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.828 -0.624 . . . . 64.340000000000003 110.271 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.5 m 62.01 88.82 0.11 Allowed Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 115.758 -0.656 . . . . 64.310000000000002 110.697 -178.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.672 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . 2.8 Cg_endo -80.96 -169.02 0.71 Allowed 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.003 2.469 . . . . 74.450000000000003 112.328 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 86.0 t80 -64.8 -31.92 73.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.259 -0.428 . . . . 74.310000000000002 110.835 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 85' ' ' PHE . 14.4 t70 72.48 132.61 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.861 0.726 . . . . 72.540000000000006 111.472 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.92 44.15 3.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 73.230000000000004 112.019 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.672 ' HE2' ' HB2' ' A' ' 84' ' ' PRO . 73.3 m-85 -92.4 166.28 12.64 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.281 0.562 . . . . 73.409999999999997 111.807 -175.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -94.47 115.82 28.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.256 -0.884 . . . . 63.039999999999999 110.059 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' A' ' 17' ' ' LEU . 92.4 mt -89.53 74.72 7.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.506 -0.553 . . . . 72.319999999999993 109.506 174.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.663 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 12.2 t-160 -81.66 102.76 10.9 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.116 0.484 . . . . 55.509999999999998 110.739 -175.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.2 mt -88.09 125.6 41.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.577 -0.738 . . . . 42.310000000000002 109.888 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.3 mm -78.28 111.22 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.294 -0.412 . . . . 64.540000000000006 110.353 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -84.07 93.17 8.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.95 0.405 . . . . 53.32 109.99 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.542 ' H ' HD23 ' A' ' 95' ' ' LEU . 2.6 pt? -123.71 6.05 8.82 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.118 -0.492 . . . . 64.030000000000001 110.663 -178.381 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 6.9 p-10 -82.48 116.71 65.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.393 0.616 . . . . 72.5 110.484 -176.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 57.7 Cg_endo . . . . . 0 C--O 1.251 1.172 0 C-N-CA 123.138 2.559 . . . . 72.549999999999997 112.066 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.686 0.279 . . . . 74.519999999999996 110.331 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.36 73.65 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.856 -0.898 . . . . 75.209999999999994 110.856 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.418 ' NE2' ' HB2' ' A' ' 5' ' ' HIS . 65.3 t60 -112.94 121.67 45.36 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.765 0.316 . . . . 74.430000000000007 110.204 -177.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -113.21 106.23 14.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.422 0.629 . . . . 74.430000000000007 109.831 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . 0.418 ' HB2' ' NE2' ' A' ' 3' ' ' HIS . 51.3 t-80 -116.1 82.89 1.85 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.644 -0.707 . . . . 54.539999999999999 109.434 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -136.07 109.83 8.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 74.219999999999999 110.567 -175.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.7 t-80 -127.66 110.22 12.46 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.931 -0.766 . . . . 75.409999999999997 108.931 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -68.25 -40.25 81.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.394 -0.366 . . . . 72.239999999999995 111.024 -175.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m 60.95 -160.98 0.3 Allowed 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.555 0.534 . . . . 71.420000000000002 110.768 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -134.2 95.67 3.46 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.426 -0.583 . . . . 64.400000000000006 109.426 172.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -85.57 71.77 2.84 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.691 -0.686 . . . . 45.009999999999998 112.829 -174.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -94.14 -37.1 11.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.086 0.47 . . . . 74.439999999999998 110.315 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -103.79 -40.09 6.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.617 -0.72 . . . . 53.439999999999998 110.268 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.8 p -77.7 106.77 9.73 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.826 -0.624 . . . . 73.019999999999996 110.047 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.36 153.67 6.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.014 0.435 . . . . 63.020000000000003 110.961 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.492 ' HB2' ' HB2' ' A' ' 86' ' ' ASP . 34.5 m80 -108.53 152.84 24.19 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.301 -0.629 . . . . 72.319999999999993 109.301 178.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.582 ' HB2' ' HB2' ' A' ' 30' ' ' ASP . 95.6 mt -116.57 -154.12 0.54 Allowed 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 108.885 -0.783 . . . . 64.340000000000003 108.885 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.6 95.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.373 -0.603 . . . . 75.439999999999998 109.373 171.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.1 mt -80.93 133.21 29.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.844 -0.617 . . . . 70.439999999999998 109.976 -177.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.0 m -143.47 147.42 34.52 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.451 -0.574 . . . . 54.530000000000001 109.451 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -116.96 177.85 4.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.918 0.389 . . . . 60.0 110.84 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.95 -32.89 15.09 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.822 -0.807 . . . . 61.450000000000003 108.822 171.156 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -66.15 -58.31 5.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.867 -1.06 . . . . 73.040000000000006 109.634 171.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 27' ' ' PHE . 94.8 mt -86.82 97.13 10.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.536 -0.757 . . . . 70.439999999999998 110.202 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -69.67 -58.67 3.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.86 -0.609 . . . . 72.150000000000006 110.222 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.7 m -82.09 85.46 6.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.806 -0.634 . . . . 75.140000000000001 109.861 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.437 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 26.0 t80 -144.2 106.01 4.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.142 -0.481 . . . . 74.219999999999999 110.2 -178.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.5 m -127.6 78.38 1.82 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.871 -0.604 . . . . 54.25 110.163 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.91 147.94 44.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.61 -0.723 . . . . 21.420000000000002 109.681 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.582 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 4.9 p-10 -166.05 176.55 7.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.078 0.466 . . . . 74.310000000000002 110.633 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.81 128.21 46.22 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.54 -0.754 . . . . 75.450000000000003 110.382 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' H ' ' HG2' ' A' ' 32' ' ' ARG . 10.4 ptt180 -68.65 122.7 19.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.776 -0.647 . . . . 55.329999999999998 110.78 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -128.29 -173.58 2.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.855 -0.611 . . . . 73.209999999999994 110.686 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.5 p -90.35 149.36 40.97 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.458 -0.792 . . . . 72.420000000000002 110.152 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.435 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 56.5 Cg_endo -71.59 4.84 2.74 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.524 2.149 . . . . 51.420000000000002 112.018 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.581 ' HA ' ' HB3' ' A' ' 78' ' ' PRO . 48.2 mt-30 -101.84 6.62 41.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 63.32 110.888 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 57.5 ttp -76.53 107.75 9.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.963 -0.562 . . . . 74.129999999999995 109.949 176.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 10.7 p -84.54 143.68 29.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.25 -0.432 . . . . 65.349999999999994 110.89 -178.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 42.4 t -62.72 -28.51 45.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.178 0.514 . . . . 64.019999999999996 110.897 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -68.0 -40.54 82.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.241 -0.436 . . . . 60.420000000000002 109.941 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.08 -39.46 72.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 74.420000000000002 111.693 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.0 p -67.42 -28.62 42.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.679 0.276 . . . . 55.340000000000003 111.087 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 98.7 mttt -61.17 -46.0 92.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.81 0.338 . . . . 75.140000000000001 110.563 177.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -69.16 -30.35 68.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 53.140000000000001 110.878 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -72.89 -31.19 64.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.861 0.363 . . . . 74.540000000000006 110.467 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.37 -39.85 58.72 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.556 -0.535 . . . . 53.200000000000003 109.556 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -58.96 -36.13 74.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.493 -0.776 . . . . 74.209999999999994 110.665 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -86.91 12.88 10.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 74.549999999999997 111.95 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -129.26 -49.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.937 0.398 . . . . 74.409999999999997 110.839 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.2 m -91.4 -34.01 15.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.112 -0.495 . . . . 71.209999999999994 111.053 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.13 4.76 86.71 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.7 -0.762 . . . . 52.240000000000002 111.974 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.4 m -96.38 138.36 34.09 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.326 -0.25 . . . . 64.540000000000006 110.326 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.7 m -69.87 140.63 53.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.947 -0.39 . . . . 63.200000000000003 109.947 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -75.24 9.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 112.542 0.571 . . . . 73.519999999999996 112.542 -172.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.1 -30.26 67.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.973 0.416 . . . . 75.219999999999999 110.587 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 m -85.94 11.32 11.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.955 -0.566 . . . . 54.439999999999998 111.298 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.4 ttp -128.19 108.24 10.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.821 0.343 . . . . 55.240000000000002 110.8 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.559 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -99.19 121.79 41.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.163 -0.472 . . . . 64.209999999999994 110.299 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 81.0 mt -99.51 111.4 23.76 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.503 0.668 . . . . 74.219999999999999 110.597 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -104.84 112.52 25.66 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.913 -1.039 . . . . 74.120000000000005 109.397 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 88' ' ' PHE . 48.1 tp -94.08 118.45 31.55 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.394 -0.366 . . . . 52.119999999999997 111.136 -174.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' HA ' ' O ' ' A' ' 67' ' ' SER . 24.0 m-85 -97.99 141.67 30.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.799 -0.637 . . . . 72.310000000000002 110.86 176.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.51 175.5 5.47 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.385 -0.969 . . . . 75.310000000000002 108.385 169.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -97.56 -7.09 32.06 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.389 0.515 . . . . 73.430000000000007 112.389 -170.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.7 p -110.55 -33.03 6.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.909 0.385 . . . . 53.420000000000002 111.513 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.78 -113.17 3.08 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.753 -0.737 . . . . 62.340000000000003 111.998 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.565 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 50.2 m -152.02 -81.45 0.1 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.767 0.318 . . . . 75.319999999999993 110.906 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -99.09 122.0 41.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.88 0.371 . . . . 54.439999999999998 110.946 -175.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 m -127.91 41.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.15 0.5 . . . . 75.049999999999997 110.724 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.29 111.26 12.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.086 -0.506 . . . . 72.420000000000002 111.759 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.3 t -94.41 -71.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.489 -0.56 . . . . 60.25 109.489 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.7 tp 66.92 21.83 10.27 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.917 -0.583 . . . . 63.100000000000001 111.61 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -119.18 4.37 11.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.602 -0.888 . . . . 73.409999999999997 108.602 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -101.49 13.99 33.31 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.431 -1.259 . . . . 72.25 110.539 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.419 ' CB ' ' HB ' ' A' ' 39' ' ' VAL . 8.2 p-10 -63.91 -23.95 67.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.529 -0.759 . . . . 72.430000000000007 112.884 -171.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.7 m -94.4 3.2 55.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.926 0.393 . . . . 63.210000000000001 111.366 -178.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -121.95 160.36 47.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.672 -0.492 . . . . 61.240000000000002 109.672 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.581 ' HB3' ' HA ' ' A' ' 36' ' ' GLN . 19.8 Cg_exo -67.3 133.17 29.63 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.086 1.857 . . . . 74.129999999999995 110.432 171.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.882 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 35.8 tp -60.53 -29.25 69.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.275 0.559 . . . . 75.530000000000001 110.809 -178.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.435 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -67.52 -16.39 67.44 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.912 -0.585 . . . . 73.409999999999997 112.708 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -69.24 -30.52 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.117 0.484 . . . . 73.430000000000007 109.916 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -86.62 -25.82 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.7 -0.682 . . . . 72.150000000000006 109.695 175.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.6 m 65.58 83.45 0.19 Allowed Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 114.949 -1.023 . . . . 53.450000000000003 111.182 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.882 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 57.6 Cg_endo -95.09 -164.73 0.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.105 2.537 . . . . 61.310000000000002 112.794 -178.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.543 ' H ' ' HE2' ' A' ' 88' ' ' PHE . 96.8 m-85 -112.96 175.87 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 72.129999999999995 109.743 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.492 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . 2.2 p-10 -110.51 4.83 20.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.208 0.528 . . . . 61.149999999999999 110.101 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.98 21.4 36.07 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.854 -0.688 . . . . 45.219999999999999 112.85 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.543 ' HE2' ' H ' ' A' ' 85' ' ' PHE . 35.5 m-85 -80.64 146.51 31.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.823 0.344 . . . . 74.219999999999999 110.25 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -115.53 116.09 27.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.052 0.453 . . . . 74.430000000000007 110.372 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.6 mp -87.87 100.56 12.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.742 -0.663 . . . . 71.340000000000003 110.233 -177.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -87.23 96.05 10.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.181 0.515 . . . . 54.409999999999997 109.902 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 67.9 mt -76.53 114.12 16.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.66 -0.7 . . . . 74.409999999999997 109.676 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.559 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 45.5 mm -74.22 110.4 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.975 -0.557 . . . . 61.439999999999998 109.98 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.33 99.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.954 -0.566 . . . . 74.319999999999993 110.159 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.8 mt -100.87 -163.69 1.04 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.683 -0.689 . . . . 72.0 109.781 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -113.98 107.56 52.05 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 121.294 0.569 . . . . 72.409999999999997 110.801 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.773 2.315 . . . . 73.519999999999996 111.191 175.656 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.672 -0.492 . . . . 74.310000000000002 109.672 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.04 139.32 15.24 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.998 -0.62 . . . . 50.229999999999997 111.848 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -82.7 113.63 20.51 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.947 -0.39 . . . . 74.409999999999997 109.947 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -85.17 57.98 4.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.166 0.508 . . . . 62.229999999999997 109.795 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -79.78 72.13 6.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.485 -0.78 . . . . 74.299999999999997 109.877 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -173.87 108.89 0.15 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.097 -0.956 . . . . 71.340000000000003 108.979 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -76.9 156.31 32.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.27 -0.423 . . . . 74.25 110.298 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -68.94 110.94 4.66 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.993 -0.743 . . . . 73.299999999999997 108.993 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 p -63.93 92.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.457 0.646 . . . . 72.209999999999994 112.335 -173.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -153.84 27.14 0.49 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.848 -0.797 . . . . 73.150000000000006 108.848 173.317 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.03 41.32 3.04 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.654 -0.703 . . . . 73.150000000000006 111.467 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -75.65 -41.05 55.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.696 0.284 . . . . 60.119999999999997 110.529 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -98.68 133.27 43.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.155 0.502 . . . . 72.129999999999995 110.133 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 m -152.53 153.53 33.63 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.605 -0.725 . . . . 45.210000000000001 110.137 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 35.1 m -86.42 153.76 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.271 -0.64 . . . . 71.310000000000002 109.271 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.455 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 48.0 m80 -98.5 91.1 5.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.27 0.557 . . . . 72.310000000000002 110.922 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.92 113.64 16.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.601 -0.727 . . . . 72.400000000000006 109.644 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -93.18 94.32 8.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.03 0.443 . . . . 64.140000000000001 110.456 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.535 ' O ' ' HA ' ' A' ' 28' ' ' SER . 58.6 mt -69.63 117.91 13.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.865 -0.607 . . . . 71.109999999999999 110.312 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.539 ' O ' ' HA ' ' A' ' 91' ' ' HIS . 10.6 m -122.33 125.74 46.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.231 -0.441 . . . . 74.010000000000005 110.051 -178.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.531 ' HB2' ' HB3' ' A' ' 27' ' ' PHE . 0.0 OUTLIER -84.61 165.01 18.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.643 0.259 . . . . 71.409999999999997 110.872 -178.282 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HB3' ' H ' ' A' ' 94' ' ' ASP . . . -99.0 -38.66 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 64.420000000000002 110.364 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -75.29 -63.97 1.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.312 -0.625 . . . . 72.049999999999997 109.312 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -87.78 92.64 9.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.946 -0.57 . . . . 65.099999999999994 109.782 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 25' ' ' LYS . 34.9 ttpt -67.85 -27.96 67.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.071 0.462 . . . . 55.149999999999999 110.411 -176.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.1 m -69.52 -16.17 63.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.941 -0.572 . . . . 75.019999999999996 111.099 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.531 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 92.8 t80 -75.53 106.28 7.0 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.269 0.557 . . . . 75.400000000000006 109.907 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 41.2 m -137.99 114.57 10.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.421 -0.809 . . . . 72.099999999999994 109.44 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.493 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -113.8 116.04 28.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.183 -0.462 . . . . 72.049999999999997 111.295 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -81.3 102.85 10.67 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.294 -0.632 . . . . 72.230000000000004 109.294 174.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -112.93 118.77 35.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.27 -0.423 . . . . 51.549999999999997 111.374 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 10.0 ptm180 -89.56 115.39 26.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.078 -0.51 . . . . 44.049999999999997 111.038 178.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -133.88 141.41 47.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.889 -0.596 . . . . 65.129999999999995 109.886 175.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -63.67 143.91 97.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.554 -0.294 . . . . 71.540000000000006 110.683 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.578 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 36.2 Cg_endo -64.46 -5.76 10.6 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.079 2.519 . . . . 74.310000000000002 113.074 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.52 -13.43 59.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.186 0.517 . . . . 72.25 110.419 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.5 ttt -88.02 146.32 25.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.846 -0.616 . . . . 72.109999999999999 109.78 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 p -102.06 163.04 12.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.282 -0.417 . . . . 52.140000000000001 110.81 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 41.4 t -65.81 -34.4 70.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.211 0.529 . . . . 61.329999999999998 109.611 176.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -51.78 -44.86 63.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.025 -0.988 . . . . 74.0 111.176 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.47 -33.14 75.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 64.129999999999995 111.336 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -74.02 -40.95 52.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.182 0.515 . . . . 72.129999999999995 110.021 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -61.17 -30.75 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.452 -0.794 . . . . 55.409999999999997 111.552 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 17.5 tt0 -52.77 -49.59 65.25 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.012 0.434 . . . . 54.130000000000003 110.803 176.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -68.28 -35.05 77.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.594 -0.73 . . . . 64.040000000000006 111.44 -172.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.99 -36.74 59.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.008 0.432 . . . . 75.010000000000005 110.474 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -64.12 -58.13 7.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.733 -0.667 . . . . 75.310000000000002 111.411 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 61.3 pttt -72.9 -6.08 42.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.856 0.36 . . . . 55.229999999999997 111.716 -174.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -77.15 -34.6 56.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.364 0.602 . . . . 63.420000000000002 109.822 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.7 m -103.46 -49.38 3.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.502 -0.772 . . . . 54.210000000000001 111.829 -171.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.88 29.1 35.75 Favored Glycine 0 N--CA 1.453 -0.197 0 N-CA-C 110.858 -0.897 . . . . 74.019999999999996 110.858 -172.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.8 m -100.54 157.95 16.28 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.268 -0.466 . . . . 63.340000000000003 110.012 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.8 m -55.07 137.0 47.51 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 110.168 -0.308 . . . . 72.129999999999995 110.168 176.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.1 p -67.29 -23.29 30.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.87 0.367 . . . . 73.019999999999996 111.167 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -77.02 -25.85 53.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.007 0.432 . . . . 43.219999999999999 110.661 178.015 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.467 ' HB3' ' HB2' ' A' ' 96' ' ' ASP . 17.0 m -73.72 -24.76 59.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.063 0.458 . . . . 64.239999999999995 110.379 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 48.8 ttp -92.18 83.53 5.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.757 -0.656 . . . . 62.409999999999997 109.892 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -89.05 138.56 31.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.823 -0.626 . . . . 64.310000000000002 110.215 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.532 ' HG ' HD13 ' A' ' 92' ' ' ILE . 5.9 tt -123.29 120.2 32.38 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.99 -0.744 . . . . 72.040000000000006 108.99 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.666 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 38.5 mm-40 -96.14 107.83 20.2 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.795 -0.446 . . . . 74.120000000000005 109.795 177.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.1 tp -73.5 87.73 1.61 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.283 0.563 . . . . 72.140000000000001 109.796 177.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -95.9 119.76 34.98 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.148 0.795 . . . . 65.430000000000007 113.148 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -76.8 145.38 38.52 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.11 -1.811 . . . . 74.409999999999997 106.11 157.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -79.75 62.97 4.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.832 0.825 . . . . 73.439999999999998 110.81 -171.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.7 m -123.66 -37.1 2.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.476 -1.238 . . . . 62.109999999999999 109.606 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.54 -54.06 0.45 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.775 -0.726 . . . . 55.109999999999999 112.508 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.5 t -96.74 165.19 12.24 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.04 0.448 . . . . 63.0 110.528 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -80.26 139.49 36.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.82 -0.627 . . . . 74.5 109.833 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.1 m -87.86 -1.5 8.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.821 0.343 . . . . 45.009999999999998 111.645 -176.543 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -147.32 150.46 34.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.702 0.287 . . . . 72.209999999999994 111.053 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.472 HG13 ' H ' ' A' ' 73' ' ' SER . 7.4 p -70.94 -17.92 20.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.437 0.637 . . . . 72.430000000000007 109.91 174.558 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 21.5 tp 64.18 20.17 12.07 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.128 -0.942 . . . . 65.409999999999997 111.706 175.014 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.472 ' H ' HG13 ' A' ' 71' ' ' VAL . 44.9 m -82.98 2.02 36.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.336 -0.987 . . . . 52.119999999999997 108.336 169.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -100.91 24.42 9.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 113.973 -1.467 . . . . 72.329999999999998 108.982 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.524 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 11.6 p-10 -71.23 -15.74 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 73.209999999999994 111.51 -173.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 t -87.78 -3.13 58.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.271 0.558 . . . . 51.329999999999998 109.681 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 77' ' ' ARG . 4.3 mmp_? -89.67 145.69 34.06 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.932 -0.576 . . . . 73.5 110.235 178.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -67.37 135.87 38.11 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.541 2.161 . . . . 73.150000000000006 111.207 173.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.3 mt -56.65 -36.15 69.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.228 -0.442 . . . . 61.340000000000003 112.184 -175.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.578 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -76.55 -10.97 85.58 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 121.234 -0.508 . . . . 72.310000000000002 112.72 -177.499 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -103.25 -0.61 30.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.681 0.753 . . . . 74.329999999999998 109.086 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -104.25 -63.87 1.16 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.315 -0.857 . . . . 61.509999999999998 109.858 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 16.3 p -175.26 105.11 0.26 Allowed Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.138 -0.483 . . . . 74.109999999999999 110.506 177.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 83' ' ' SER . 4.1 Cg_exo -80.08 71.28 7.13 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 123.318 2.679 . . . . 72.420000000000002 112.15 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -66.07 -62.12 1.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.775 -0.648 . . . . 64.450000000000003 111.176 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.9 t70 178.46 -56.88 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.373 0.606 . . . . 75.109999999999999 109.756 -176.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 16' ' ' HIS . . . 167.22 98.37 0.12 Allowed Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.206 -0.906 . . . . 54.210000000000001 111.206 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -71.39 161.06 31.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.951 0.405 . . . . 71.109999999999999 110.511 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -86.04 107.53 17.84 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.263 -0.643 . . . . 72.540000000000006 109.263 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 19' ' ' ILE . 81.6 mt -74.44 88.56 2.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.899 -0.591 . . . . 75.530000000000001 109.591 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.666 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 12.1 t-80 -82.44 94.79 7.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.105 0.479 . . . . 71.409999999999997 110.215 -177.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.532 HD13 ' HG ' ' A' ' 59' ' ' LEU . 47.1 mm -74.31 117.04 17.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.479 -0.782 . . . . 75.150000000000006 109.707 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.551 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 47.2 mm -81.22 107.0 13.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.128 -0.487 . . . . 72.209999999999994 110.187 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.471 ' H ' ' HB3' ' A' ' 22' ' ' ALA . 9.4 m-20 -72.61 67.68 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.159 -0.682 . . . . 62.509999999999998 109.159 173.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.1 tp -75.95 -43.31 45.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 75.140000000000001 110.685 -175.54 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.497 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 15.0 t70 -83.07 115.05 56.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.072 -0.513 . . . . 71.310000000000002 109.663 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 5.9 Cg_exo . . . . . 0 C--O 1.25 1.119 0 C-N-CA 123.236 2.624 . . . . 72.150000000000006 112.475 -175.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.008 0.432 . . . . 74.519999999999996 110.698 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.76 65.15 0.25 Allowed Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 111.389 -0.684 . . . . 75.209999999999994 111.389 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -74.95 105.5 6.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.66 0.267 . . . . 74.430000000000007 110.523 -176.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -123.49 102.51 7.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.654 0.74 . . . . 74.430000000000007 109.412 174.116 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -154.81 70.62 0.78 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.346 -0.843 . . . . 54.539999999999999 108.998 -176.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -143.41 133.78 24.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.603 -0.726 . . . . 74.219999999999999 109.941 -175.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -132.34 162.27 31.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.019 -0.734 . . . . 75.409999999999997 109.019 175.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -93.77 -51.26 4.98 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.137 -0.69 . . . . 72.239999999999995 109.137 172.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.9 m 63.95 115.83 0.02 OUTLIER 'General case' 0 C--O 1.233 0.196 0 O-C-N 124.186 0.929 . . . . 71.420000000000002 111.58 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -72.71 93.44 1.65 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.113 -0.494 . . . . 64.400000000000006 109.691 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.22 105.1 1.25 Allowed Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.489 -0.778 . . . . 45.009999999999998 112.926 -175.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -102.0 -35.22 9.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.394 0.616 . . . . 74.439999999999998 109.458 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -148.39 87.85 1.61 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.242 -0.89 . . . . 53.439999999999998 110.246 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.505 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 56.4 p -169.73 133.07 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.935 -0.575 . . . . 73.019999999999996 110.64 -177.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.675 HG11 ' HG2' ' A' ' 84' ' ' PRO . 18.6 m -121.35 134.33 65.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.996 0.427 . . . . 63.020000000000003 111.063 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -85.64 107.08 17.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.231 -0.441 . . . . 72.319999999999993 111.313 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.2 mt -87.21 100.04 12.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.575 -0.898 . . . . 64.340000000000003 108.575 171.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.604 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 71.0 m-70 -76.6 101.1 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.778 -0.646 . . . . 75.439999999999998 110.332 -172.625 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.2 mt -86.98 136.18 23.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.02 -0.537 . . . . 70.439999999999998 110.623 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.2 m -140.51 142.37 35.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.299 -0.41 . . . . 54.530000000000001 110.007 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.516 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 4.6 t60 -93.02 151.79 19.68 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.59 -0.522 . . . . 60.0 109.59 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . . . -72.19 -53.99 11.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.86 0.362 . . . . 61.450000000000003 111.263 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -75.33 -14.9 60.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.236 -0.438 . . . . 73.040000000000006 111.277 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.516 ' HB3' ' HB3' ' A' ' 21' ' ' HIS . 44.6 tp -120.58 100.47 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 70.439999999999998 110.464 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -67.6 -44.8 77.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.724 -0.671 . . . . 72.150000000000006 110.978 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 t -86.63 90.72 8.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.017 0.437 . . . . 75.140000000000001 109.836 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -133.54 95.37 3.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.824 -0.626 . . . . 74.219999999999999 110.182 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.8 m -103.4 86.9 2.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.099 0.476 . . . . 54.25 110.42 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.92 32.2 0.69 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.926 -0.579 . . . . 21.420000000000002 111.134 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.515 ' CB ' ' HA ' ' A' ' 18' ' ' HIS . 4.3 p-10 -77.86 155.79 30.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.999 0.428 . . . . 74.310000000000002 109.927 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.61 158.84 43.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.143 -0.481 . . . . 75.450000000000003 111.126 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.505 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 11.8 ptt180 -89.75 108.62 19.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.781 -0.645 . . . . 55.329999999999998 109.508 173.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -98.17 160.41 14.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.135 -0.484 . . . . 73.209999999999994 111.254 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.3 m -81.16 118.54 72.78 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.478 -0.783 . . . . 72.420000000000002 109.61 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.467 ' HB2' ' CA ' ' A' ' 80' ' ' GLY . 20.7 Cg_endo -61.22 -19.98 66.03 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.053 2.502 . . . . 51.420000000000002 114.018 -174.039 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -71.34 1.9 5.57 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.839 -0.538 . . . . 63.32 112.032 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 57.4 ttp -97.99 134.95 40.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.678 -0.49 . . . . 74.129999999999995 109.678 173.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.0 p -83.2 151.6 25.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.9 0.381 . . . . 65.349999999999994 110.83 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.506 ' O ' HG12 ' A' ' 42' ' ' VAL . 43.4 t -68.84 -29.07 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.283 0.563 . . . . 64.019999999999996 109.891 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' HB2' ' HA ' ' A' ' 76' ' ' SER . 45.5 tt0 -62.5 -40.44 96.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.864 -0.607 . . . . 60.420000000000002 110.418 175.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.3 87.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.104 -0.498 . . . . 74.420000000000002 111.454 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.7 p -75.11 -30.65 23.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.617 -0.433 . . . . 55.340000000000003 110.826 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 93.8 mttt -61.24 -51.34 69.37 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.12 -0.696 . . . . 75.140000000000001 109.12 173.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 30.0 tt0 -57.16 -45.86 83.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.861 -1.063 . . . . 53.140000000000001 110.801 178.372 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -63.12 -37.55 87.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.851 -0.613 . . . . 74.540000000000006 111.434 -176.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.6 mt -75.67 -37.39 59.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.1 0.476 . . . . 53.200000000000003 110.415 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -60.47 -43.35 97.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.889 -0.596 . . . . 74.209999999999994 110.559 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 9.5 mtpm? -62.08 -19.96 63.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.013 -0.54 . . . . 74.549999999999997 111.419 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -86.88 -52.0 5.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.449 -0.341 . . . . 74.409999999999997 111.256 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.4 m -99.64 -39.31 8.34 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.528 0.566 . . . . 71.209999999999994 112.528 -173.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.91 22.24 39.63 Favored Glycine 0 N--CA 1.454 -0.127 0 C-N-CA 120.539 -0.838 . . . . 52.240000000000002 112.113 -174.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.9 m -90.21 134.58 34.2 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.202 -0.295 . . . . 64.540000000000006 110.202 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 m -53.48 133.65 40.78 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.39 -0.368 . . . . 63.200000000000003 111.067 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.26 -16.07 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 112.15 0.426 . . . . 73.519999999999996 112.15 -173.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -81.51 -28.29 34.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.851 0.358 . . . . 75.219999999999999 110.279 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.7 m -75.46 -25.79 57.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.409 0.624 . . . . 54.439999999999998 109.86 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.4 ttp -89.64 71.43 7.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.627 -0.715 . . . . 55.240000000000002 109.188 174.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.453 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -82.96 125.09 31.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.39 -0.823 . . . . 64.209999999999994 111.226 -176.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.5 mt -110.57 97.4 6.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.176 -0.466 . . . . 74.219999999999999 110.281 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.65 111.95 13.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.941 0.401 . . . . 74.120000000000005 110.237 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 88' ' ' PHE . 34.0 tp -78.52 101.43 7.36 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.794 -0.639 . . . . 52.119999999999997 110.035 178.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -90.01 118.7 29.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.979 -0.555 . . . . 72.310000000000002 110.03 177.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -81.44 153.92 26.65 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.994 -0.743 . . . . 75.310000000000002 108.994 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -94.11 55.14 2.01 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.354 0.597 . . . . 73.430000000000007 110.382 -176.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -161.25 -54.9 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.779 -0.646 . . . . 53.420000000000002 110.044 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.43 -92.18 1.74 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.204 -0.522 . . . . 62.340000000000003 112.376 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -164.28 -75.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.739 0.305 . . . . 75.319999999999993 111.065 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -124.0 126.33 46.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.424 -0.353 . . . . 54.439999999999998 110.765 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 m -122.64 74.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.552 0.692 . . . . 75.049999999999997 110.835 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.61 94.7 5.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.756 -0.656 . . . . 72.420000000000002 111.383 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.1 t -93.11 -41.44 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.092 -0.707 . . . . 60.25 109.092 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.9 tp 61.61 37.98 15.75 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.842 -1.072 . . . . 63.100000000000001 111.427 174.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.8 t -127.26 4.36 6.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 122.104 0.954 . . . . 73.409999999999997 108.562 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -118.59 -9.61 10.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.592 -1.186 . . . . 72.25 110.333 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.476 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 9.5 p-10 -76.97 -28.18 55.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.473 -0.785 . . . . 72.430000000000007 110.6 -175.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.526 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 9.7 m -89.56 14.41 11.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.828 -0.624 . . . . 63.210000000000001 110.287 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.4 mmm-85 -121.27 157.47 55.73 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.032 -0.729 . . . . 61.240000000000002 109.032 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -59.2 117.77 4.56 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 121.838 1.692 . . . . 74.129999999999995 110.368 172.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.549 ' O ' ' HD3' ' A' ' 84' ' ' PRO . 14.8 tp -62.36 -24.67 67.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.42 -0.354 . . . . 75.530000000000001 110.704 -172.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.467 ' CA ' ' HB2' ' A' ' 35' ' ' PRO . . . -66.64 -36.84 91.92 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.424 -0.417 . . . . 73.409999999999997 112.102 176.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -68.09 -36.99 80.69 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.569 -0.53 . . . . 73.430000000000007 109.569 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -69.06 -30.84 69.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.41 -0.813 . . . . 72.150000000000006 110.334 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.6 t 66.13 91.17 0.08 OUTLIER Pre-proline 0 C--N 1.333 -0.112 0 CA-C-N 115.559 -0.746 . . . . 53.450000000000003 110.029 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.675 ' HG2' HG11 ' A' ' 15' ' ' VAL . 83.7 Cg_endo -83.49 154.81 13.98 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.465 2.11 . . . . 61.310000000000002 112.227 -175.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -117.8 142.45 47.27 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.099 -0.5 . . . . 72.129999999999995 109.803 177.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -75.84 89.99 2.91 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.231 0.539 . . . . 61.149999999999999 110.638 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.52 30.09 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.88 -0.676 . . . . 45.219999999999999 111.926 177.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.561 ' HB3' HD11 ' A' ' 61' ' ' LEU . 93.3 m-85 -131.03 151.18 51.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.668 0.27 . . . . 74.219999999999999 110.418 -178.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.604 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 79.1 mtt85 -124.16 134.36 53.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.323 -0.398 . . . . 74.430000000000007 110.878 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.3 mt -95.09 101.39 13.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.745 -0.661 . . . . 71.340000000000003 109.768 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -89.97 101.06 13.76 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.081 -0.34 . . . . 54.409999999999997 110.081 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 45.0 mt -69.57 106.61 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.839 -0.619 . . . . 74.409999999999997 109.938 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.493 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 47.1 mm -79.71 121.5 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.352 -0.386 . . . . 61.439999999999998 110.476 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.64 96.95 5.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.087 -0.506 . . . . 74.319999999999993 110.325 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.4 mt -103.51 -168.07 1.46 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.324 -0.398 . . . . 72.0 110.029 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.507 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 8.1 p-10 -92.78 141.39 24.32 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.829 -0.623 . . . . 72.409999999999997 110.911 -178.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 9.8 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 123.533 2.822 . . . . 73.519999999999996 112.582 -177.263 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 121.132 0.491 . . . . 63.130000000000003 110.068 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -104.14 36.41 4.39 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.874 -0.679 . . . . 53.450000000000003 112.689 -176.32 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -98.01 104.43 16.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.905 -0.776 . . . . 64.150000000000006 108.905 177.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -123.58 149.8 44.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.026 -0.534 . . . . 63.020000000000003 111.277 -174.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -148.73 149.2 31.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 72.099999999999994 110.344 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.2 m170 -124.85 158.46 33.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.545 -0.539 . . . . 75.030000000000001 109.545 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -85.04 63.59 8.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.095 0.474 . . . . 64.010000000000005 110.855 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -82.75 120.68 25.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.764 -0.653 . . . . 75.400000000000006 109.539 176.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.4 m -77.63 111.5 13.45 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.004 -0.543 . . . . 74.310000000000002 111.372 -178.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -94.33 153.8 17.81 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.097 -0.705 . . . . 62.43 109.097 173.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.66 -121.4 0.13 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.567 -0.825 . . . . 60.539999999999999 112.611 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.47 76.39 1.53 Allowed 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.974 -0.38 . . . . 72.420000000000002 109.974 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -177.65 130.29 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.509 -0.769 . . . . 71.530000000000001 109.035 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.537 ' HB3' ' HB2' ' A' ' 32' ' ' ARG . 62.0 m -155.41 121.46 5.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.716 0.293 . . . . 52.350000000000001 110.884 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.702 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 29.8 m -77.12 132.8 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.326 -0.397 . . . . 72.329999999999998 110.483 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.46 ' HB2' ' HA3' ' A' ' 87' ' ' GLY . 34.3 m80 -89.22 88.25 7.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.347 -0.388 . . . . 63.32 111.738 -172.563 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.477 HD12 ' HD2' ' A' ' 33' ' ' PHE . 88.6 mt -84.78 100.53 11.59 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.538 -0.542 . . . . 64.25 109.538 175.588 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.537 ' HB2' ' HD3' ' A' ' 89' ' ' ARG . 38.3 m-70 -80.54 111.0 16.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.95 -0.568 . . . . 74.430000000000007 110.01 -176.212 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.4 mm -83.49 108.11 15.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.959 0.409 . . . . 52.030000000000001 110.577 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 m -118.28 145.67 44.88 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.05 -0.523 . . . . 52.130000000000003 110.057 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.449 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 20.8 m-70 -120.07 177.14 5.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.052 0.453 . . . . 73.129999999999995 111.304 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.446 ' HB3' ' H ' ' A' ' 94' ' ' ASP . . . -108.99 -32.96 7.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.378 -0.828 . . . . 44.210000000000001 108.915 171.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 61.2 t30 -69.31 -34.44 74.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.424 -0.807 . . . . 72.409999999999997 109.203 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mp -115.09 101.94 9.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.051 -0.977 . . . . 72.409999999999997 108.575 173.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -55.73 -31.89 62.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.7 -0.682 . . . . 72.150000000000006 112.137 -174.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.9 t -139.73 99.9 3.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.223 -0.658 . . . . 75.400000000000006 109.223 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -99.31 122.91 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.905 -0.589 . . . . 74.200000000000003 110.148 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 p -80.61 91.84 5.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.994 -0.548 . . . . 63.509999999999998 110.891 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -164.17 109.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.132 -0.486 . . . . 73.230000000000004 110.996 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -109.86 102.06 10.86 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.454 -0.573 . . . . 71.439999999999998 109.454 173.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.05 91.14 8.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.254 -0.43 . . . . 71.099999999999994 110.619 -176.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.702 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 11.0 ptt180 -93.44 108.92 20.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.442 0.639 . . . . 71.109999999999999 110.233 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.477 ' HD2' HD12 ' A' ' 17' ' ' LEU . 74.0 m-85 -104.31 178.15 4.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.657 -0.701 . . . . 75.409999999999997 111.477 -175.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.425 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 22.0 p -82.83 145.79 51.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.301 -0.863 . . . . 61.020000000000003 110.862 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 48.6 Cg_exo -57.7 150.29 62.78 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.224 2.616 . . . . 34.329999999999998 113.135 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.638 ' HA ' ' H ' ' A' ' 80' ' ' GLY . 37.2 mt-30 65.17 21.68 12.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.217 -0.901 . . . . 74.25 113.244 177.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.78 142.44 54.92 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.611 -0.515 . . . . 70.549999999999997 109.611 172.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 t -77.02 123.2 26.01 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.805 -0.443 . . . . 73.310000000000002 109.805 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.559 HG12 ' HE3' ' A' ' 43' ' ' LYS . 7.8 t -71.0 -28.77 34.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.217 -0.447 . . . . 72.340000000000003 110.328 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 44.5 tt0 -62.52 -35.19 78.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.195 -0.457 . . . . 71.329999999999998 110.161 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.18 89.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.973 -0.558 . . . . 53.43 111.59 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.407 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 11.1 p -79.25 -30.55 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.663 -0.415 . . . . 73.040000000000006 110.364 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.559 ' HE3' HG12 ' A' ' 39' ' ' VAL . 98.4 mttt -66.32 -37.13 84.67 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.775 0.321 . . . . 74.319999999999993 110.174 175.595 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.428 ' HG2' ' HE2' ' A' ' 48' ' ' LYS . 28.8 tt0 -61.03 -37.41 82.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 73.200000000000003 110.111 175.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.441 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 60.8 tttt -71.03 -35.34 71.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.906 -0.588 . . . . 75.329999999999998 109.937 -178.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 42' ' ' VAL . 96.0 mt -65.51 -39.35 91.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.087 0.47 . . . . 72.129999999999995 110.136 174.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -62.22 -36.06 80.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.729 -0.669 . . . . 73.430000000000007 110.4 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 45' ' ' LYS . 54.5 mtmt -80.14 12.03 3.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.96 -0.563 . . . . 74.340000000000003 111.759 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -64.02 -45.31 89.5 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.594 -0.521 . . . . 70.430000000000007 109.594 171.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.3 p -139.19 -0.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.707 -0.679 . . . . 72.540000000000006 111.121 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.23 38.76 53.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.837 -0.697 . . . . 44.140000000000001 111.756 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.5 m -135.92 144.84 45.71 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.103 -0.332 . . . . 62.25 110.103 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 m -58.21 148.48 26.93 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.901 0.381 . . . . 72.099999999999994 111.031 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.47 81.29 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.284 0.564 . . . . 72.329999999999998 109.805 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -114.5 -37.96 4.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.683 -0.689 . . . . 54.140000000000001 110.623 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.8 p -86.99 6.29 33.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.988 -0.551 . . . . 64.129999999999995 111.281 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.9 ttm -134.55 131.55 38.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.187 -0.46 . . . . 64.540000000000006 110.236 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.431 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -114.9 130.75 56.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.36 -0.382 . . . . 73.299999999999997 110.539 178.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.1 mt -101.0 100.89 11.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.002 0.43 . . . . 74.140000000000001 110.647 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 17.5 mm-40 -87.54 111.87 21.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.02 -0.536 . . . . 65.409999999999997 111.059 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.3 tp -86.51 113.7 22.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.035 -0.529 . . . . 74.200000000000003 110.216 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.525 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 27.0 m-85 -114.49 135.91 53.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.262 0.553 . . . . 74.109999999999999 112.086 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.672 ' HB3' ' HB2' ' A' ' 67' ' ' SER . 20.7 t70 -82.5 124.33 30.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.051 -0.977 . . . . 74.349999999999994 109.38 173.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.7 t70 72.01 -64.35 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.977 0.798 . . . . 62.109999999999999 111.002 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' SER . . . . . 0.531 ' HA ' ' HG3' ' A' ' 89' ' ' ARG . 73.4 m -161.76 -51.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.393 -0.367 . . . . 71.099999999999994 111.881 -177.474 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.56 -25.78 3.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 119.787 -1.196 . . . . 55.5 114.161 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.672 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 20.0 m -60.76 116.19 4.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.005 0.402 . . . . 75.129999999999995 111.316 -174.709 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -76.64 106.07 8.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.082 -0.508 . . . . 61.009999999999998 110.218 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.7 m -124.38 34.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.059 0.456 . . . . 75.319999999999993 110.979 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.64 108.61 2.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.932 -0.576 . . . . 62.240000000000002 110.85 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 p -129.19 145.05 36.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.691 -0.686 . . . . 73.140000000000001 109.663 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.9 tp -117.51 102.22 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.266 0.555 . . . . 74.310000000000002 110.652 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.4 t -164.88 22.28 0.06 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.315 -0.994 . . . . 73.540000000000006 108.315 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.489 ' HB2' HG21 ' A' ' 39' ' ' VAL . 5.0 p-10 -114.11 -11.35 12.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.423 -1.262 . . . . 55.549999999999997 112.02 -167.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 31.0 m-20 -64.75 -42.81 94.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.271 0.558 . . . . 54.509999999999998 110.494 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.2 m -99.91 9.85 42.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.832 -0.622 . . . . 64.439999999999998 111.227 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 14.3 mmt180 -133.24 138.43 31.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.388 . . . . 73.299999999999997 111.583 -173.721 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 77' ' ' ARG . 23.6 Cg_exo -65.02 125.09 14.05 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.563 2.176 . . . . 71.219999999999999 110.968 173.702 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.89 -31.52 64.96 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.907 0.384 . . . . 74.329999999999998 111.706 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.638 ' H ' ' HA ' ' A' ' 36' ' ' GLN . . . -75.11 -20.25 79.35 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.878 -0.677 . . . . 73.109999999999999 112.947 -177.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -68.07 -30.13 69.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.958 0.408 . . . . 74.120000000000005 110.105 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -74.66 -18.17 60.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.709 -0.678 . . . . 71.450000000000003 110.294 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t 66.9 95.37 0.05 OUTLIER Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.448 -0.796 . . . . 74.219999999999999 110.625 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.493 ' HG2' HG11 ' A' ' 15' ' ' VAL . 7.8 Cg_exo -73.17 151.62 49.51 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 123.08 2.52 . . . . 73.329999999999998 112.589 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -63.89 -60.76 2.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.859 -0.609 . . . . 72.209999999999994 110.345 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -166.31 -56.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.509 -0.769 . . . . 72.140000000000001 109.114 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.46 ' HA3' ' HB2' ' A' ' 16' ' ' HIS . . . -160.7 156.61 27.97 Favored Glycine 0 N--CA 1.436 -1.314 0 CA-C-N 114.953 -1.021 . . . . 65.219999999999999 111.546 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -128.46 164.15 23.37 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.957 0.408 . . . . 74.040000000000006 110.503 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.537 ' HD3' ' HB2' ' A' ' 18' ' ' HIS . 16.6 mmt180 -96.11 111.16 23.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.89 -0.596 . . . . 74.099999999999994 110.38 177.297 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.5 mt -90.5 92.15 8.74 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.041 -0.726 . . . . 72.310000000000002 109.041 174.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 10.7 t-160 -88.54 98.13 11.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.832 -0.622 . . . . 72.510000000000005 110.197 -175.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.9 mt -76.75 112.38 14.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.487 -0.778 . . . . 75.030000000000001 110.5 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.431 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 45.0 mm -76.31 100.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.433 -0.58 . . . . 72.209999999999994 109.433 176.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.449 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 23.0 m-20 -83.07 92.71 7.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.931 -0.577 . . . . 74.400000000000006 110.867 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.84 71.99 6.55 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.649 -1.241 . . . . 73.430000000000007 107.649 172.19 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -110.9 119.75 45.23 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.013 -0.994 . . . . 70.219999999999999 110.497 -172.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 C--O 1.248 1.008 0 C-N-CA 122.646 2.23 . . . . 70.439999999999998 112.001 178.429 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 109.582 -0.525 . . . . 74.519999999999996 109.582 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 139.94 144.33 4.5 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.849 -0.691 . . . . 75.209999999999994 111.97 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -119.39 131.66 55.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.933 -0.395 . . . . 74.430000000000007 109.933 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -108.38 95.18 5.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.771 0.796 . . . . 74.430000000000007 110.418 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -124.07 5.76 8.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.769 -1.105 . . . . 54.539999999999999 109.362 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -77.52 76.48 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.317 -0.856 . . . . 74.219999999999999 110.901 -174.314 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -98.17 163.27 12.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.728 -0.669 . . . . 75.409999999999997 109.525 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -111.46 129.83 55.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.747 0.308 . . . . 72.239999999999995 110.766 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.9 m -68.76 150.33 47.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.773 -0.649 . . . . 71.420000000000002 111.04 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.76 19.55 1.15 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.16 0.505 . . . . 64.400000000000006 110.552 179.006 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -102.12 -130.73 7.11 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.796 -0.716 . . . . 45.009999999999998 112.016 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -150.75 65.05 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.457 0.646 . . . . 74.439999999999998 110.53 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -172.57 128.17 0.52 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.698 -0.683 . . . . 53.439999999999998 109.764 175.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.5 p 173.58 114.93 0.02 OUTLIER 'General case' 0 C--O 1.232 0.155 0 O-C-N 123.527 0.517 . . . . 73.019999999999996 111.995 173.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 33' ' ' PHE . 20.7 m -109.99 100.34 10.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.875 -0.787 . . . . 63.020000000000003 108.875 164.003 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -77.53 82.55 3.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.441 -0.799 . . . . 72.319999999999993 111.726 -176.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.707 HD11 HD21 ' A' ' 79' ' ' LEU . 92.9 mt -86.11 106.07 16.98 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.858 -0.61 . . . . 64.340000000000003 109.766 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.654 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 70.5 m-70 -77.88 112.68 15.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.063 -0.517 . . . . 75.439999999999998 110.191 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 58.7 mt -76.42 122.36 30.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.883 0.373 . . . . 70.439999999999998 110.338 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.9 m -131.17 129.79 42.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.247 -0.433 . . . . 54.530000000000001 110.216 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 24' ' ' LEU . 5.7 t-160 -97.73 149.96 21.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.759 -0.46 . . . . 60.0 109.759 -176.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HB3' ' OD2' ' A' ' 94' ' ' ASP . . . -67.92 -39.55 83.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.666 0.27 . . . . 61.450000000000003 110.966 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -75.7 -34.35 60.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.784 0.326 . . . . 73.040000000000006 110.855 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 21' ' ' HIS . 90.6 mt -106.77 92.9 4.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.491 -0.322 . . . . 70.439999999999998 110.29 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -50.56 -51.99 43.09 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.941 0.775 . . . . 72.150000000000006 111.572 -177.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 t -105.2 96.62 6.65 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.323 0.582 . . . . 75.140000000000001 109.9 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -103.58 114.75 29.25 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.114 -0.699 . . . . 74.219999999999999 109.114 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.3 m -81.91 83.2 7.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.879 0.371 . . . . 54.25 111.097 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.523 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -147.83 89.93 1.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.258 0.552 . . . . 21.420000000000002 110.902 177.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -107.38 123.24 48.08 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.047 -0.723 . . . . 74.310000000000002 109.047 174.212 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.26 137.13 42.25 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.774 -0.648 . . . . 75.450000000000003 109.649 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.3 ptt85 -94.92 100.99 12.75 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.582 0.706 . . . . 55.329999999999998 109.747 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.466 ' O ' HG22 ' A' ' 15' ' ' VAL . 90.1 m-85 -84.37 169.23 14.83 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.433 -0.803 . . . . 73.209999999999994 109.712 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 p -101.06 149.8 36.54 Favored Pre-proline 0 C--N 1.317 -0.843 0 N-CA-C 109.664 -0.495 . . . . 72.420000000000002 109.664 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.503 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 59.0 Cg_endo -70.84 15.3 0.3 Allowed 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 122.724 2.283 . . . . 51.420000000000002 113.191 -178.119 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -83.45 -35.61 24.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.84 0.352 . . . . 63.32 111.158 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 58.8 ttp -78.46 138.54 38.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.241 -0.436 . . . . 74.129999999999995 110.464 -175.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 m -93.01 155.79 17.31 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.143 -0.317 . . . . 65.349999999999994 110.143 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.591 ' HB ' ' HA ' ' A' ' 75' ' ' ASP . 28.4 t -65.91 -31.96 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.71 0.767 . . . . 64.019999999999996 109.797 177.455 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -57.9 -34.22 69.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.993 -1.003 . . . . 60.420000000000002 111.016 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.95 82.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.002 -0.545 . . . . 74.420000000000002 111.892 -176.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 39' ' ' VAL . 10.2 p -67.31 -33.65 64.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.863 -0.335 . . . . 55.340000000000003 110.98 -177.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -58.69 -55.11 39.37 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.117 0.484 . . . . 75.140000000000001 110.188 175.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.01 -40.43 80.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.348 -0.842 . . . . 53.140000000000001 111.18 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.442 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 25.2 ttmt -70.58 -35.73 73.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.11 -0.495 . . . . 74.540000000000006 111.236 -176.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 42' ' ' VAL . 94.8 mt -68.73 -36.97 79.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.964 0.412 . . . . 53.200000000000003 110.259 175.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 26.4 t90 -64.22 -26.38 68.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.697 -0.683 . . . . 74.209999999999994 110.461 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -85.25 -41.28 15.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.281 -0.418 . . . . 74.549999999999997 110.734 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -67.9 -56.18 10.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.873 -0.603 . . . . 74.409999999999997 111.684 -175.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.4 m -92.81 -22.45 19.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.387 -0.37 . . . . 71.209999999999994 110.971 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.67 27.2 73.6 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.675 -0.774 . . . . 52.240000000000002 112.41 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.4 m -124.22 147.56 47.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.167 -0.308 . . . . 64.540000000000006 110.167 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.5 m -64.61 136.98 57.56 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.225 0.328 . . . . 63.200000000000003 110.835 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.3 m -80.34 0.39 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.953 0.406 . . . . 73.519999999999996 111.405 -177.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -80.39 32.06 0.29 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.742 0.782 . . . . 75.219999999999999 110.218 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.543 ' HA ' HD12 ' A' ' 95' ' ' LEU . 47.3 m -147.61 19.94 1.17 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.559 0.695 . . . . 54.439999999999998 109.302 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.6 ttp -151.61 101.0 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.226 -0.897 . . . . 55.240000000000002 109.401 -177.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.45 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -87.28 142.78 27.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.115 -0.493 . . . . 64.209999999999994 111.27 -174.322 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -101.31 102.48 13.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.093 -0.503 . . . . 74.219999999999999 109.982 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.994 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 6.3 mm-40 -90.42 110.82 21.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.83 -0.623 . . . . 74.120000000000005 110.378 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.583 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 54.0 tp -84.07 107.11 16.22 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.51 -0.552 . . . . 52.119999999999997 109.51 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.468 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 2.0 m-85 -83.47 120.49 25.98 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.855 -0.611 . . . . 72.310000000000002 111.328 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.87 138.66 35.68 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.69 -1.226 . . . . 75.310000000000002 107.69 168.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -97.98 -0.96 43.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.134 0.493 . . . . 73.430000000000007 111.03 -171.22 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.0 t -84.98 -38.64 19.03 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.029 -0.73 . . . . 53.420000000000002 109.029 175.26 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.98 -91.15 1.77 Allowed Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.577 -0.738 . . . . 62.340000000000003 111.521 174.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.2 m -165.95 -62.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.768 0.318 . . . . 75.319999999999993 111.477 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HE2' ' OE2' ' A' ' 60' ' ' GLU . 42.6 tttm -131.03 125.67 33.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.491 -0.322 . . . . 54.439999999999998 111.473 -168.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.583 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 25.2 m -138.91 145.56 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.735 -0.468 . . . . 75.049999999999997 109.735 175.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.64 107.59 0.07 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.294 -0.412 . . . . 72.420000000000002 111.004 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.9 t -78.5 -53.87 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.149 -0.686 . . . . 60.25 109.149 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.6 tp 71.65 8.42 6.16 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.113 -0.949 . . . . 63.100000000000001 111.101 173.353 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.9 t -94.62 -15.9 23.63 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.683 -1.228 . . . . 73.409999999999997 107.683 169.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -84.76 -8.9 58.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.903 -1.499 . . . . 72.25 110.953 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.591 ' HA ' ' HB ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -64.46 -28.75 69.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 72.430000000000007 110.393 -177.735 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.1 m -88.9 4.03 49.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.793 -0.64 . . . . 63.210000000000001 110.48 -177.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.4 mmm-85 -119.19 168.79 9.21 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.174 -0.676 . . . . 61.240000000000002 109.174 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -62.79 145.74 94.89 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.985 1.79 . . . . 74.129999999999995 110.944 173.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.707 HD21 HD11 ' A' ' 17' ' ' LEU . 22.5 tp -60.02 -26.47 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.953 0.406 . . . . 75.530000000000001 110.879 -177.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.503 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -74.7 -10.29 83.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.988 -0.625 . . . . 73.409999999999997 112.902 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -73.54 -38.71 65.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.108 0.48 . . . . 73.430000000000007 109.73 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -89.76 -40.55 12.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.76 -0.655 . . . . 72.150000000000006 109.573 175.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 t 63.94 80.32 0.24 Allowed Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 115.447 -0.797 . . . . 53.450000000000003 111.813 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.406 ' HB2' HD21 ' A' ' 17' ' ' LEU . 2.9 Cg_exo -77.01 130.69 11.47 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.881 2.387 . . . . 61.310000000000002 111.078 174.265 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -94.78 -173.45 3.0 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.07 0.462 . . . . 72.129999999999995 111.51 -174.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -70.5 -11.24 60.8 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.508 -0.769 . . . . 61.149999999999999 112.558 -172.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.37 -2.17 80.21 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.678 -0.772 . . . . 45.219999999999999 112.685 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -99.51 145.97 26.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.268 0.556 . . . . 74.219999999999999 111.67 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.654 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 77.9 mtt180 -128.09 145.92 50.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.774 -0.648 . . . . 74.430000000000007 109.973 178.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.516 HD11 HD13 ' A' ' 17' ' ' LEU . 83.9 mt -100.85 106.13 17.47 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.161 -0.311 . . . . 71.340000000000003 110.161 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.994 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 9.4 t-160 -94.78 105.14 17.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.03 0.443 . . . . 54.409999999999997 110.31 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -79.15 108.68 13.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 74.409999999999997 110.201 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.45 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 31.4 mm -81.86 124.59 39.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.972 0.415 . . . . 61.439999999999998 110.999 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 22' ' ' ALA . 37.3 m-20 -93.1 121.08 34.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.71 -0.677 . . . . 74.319999999999993 109.744 177.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 56' ' ' SER . 94.2 mt -101.87 -157.31 0.6 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.393 -0.595 . . . . 72.0 109.393 175.531 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -97.14 117.07 66.08 Favored Pre-proline 0 C--N 1.323 -0.571 0 C-N-CA 121.016 -0.273 . . . . 72.409999999999997 110.283 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 C--O 1.246 0.917 0 C-N-CA 123.137 2.558 . . . . 73.519999999999996 112.096 -179.167 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.712 0.291 . . . . 75.129999999999995 110.361 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.28 -170.02 26.16 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.934 -0.65 . . . . 71.239999999999995 112.11 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.9 m80 63.25 -160.01 0.31 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.728 0.411 . . . . 64.150000000000006 110.34 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -130.31 122.63 28.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.046 0.45 . . . . 75.219999999999999 109.878 174.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -92.89 78.38 4.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.155 -0.475 . . . . 51.409999999999997 110.536 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -119.8 -50.72 2.28 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.871 -0.331 . . . . 75.200000000000003 110.979 -177.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 59.0 m170 65.49 103.09 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.811 0.694 . . . . 72.230000000000004 110.685 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -58.05 -39.74 79.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.307 -0.406 . . . . 74.239999999999995 110.448 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 t 61.92 -165.1 0.23 Allowed 'General case' 0 CA--C 1.539 0.52 0 O-C-N 123.753 0.658 . . . . 63.310000000000002 111.423 173.149 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -143.68 34.95 1.28 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.949 -0.569 . . . . 74.310000000000002 109.824 177.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.52 60.58 4.55 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.829 -0.623 . . . . 15.01 112.001 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -101.13 94.4 5.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.083 0.468 . . . . 52.340000000000003 111.268 -176.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -171.29 -179.93 2.79 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.236 -1.024 . . . . 71.439999999999998 108.236 176.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.509 ' HB3' ' O ' ' A' ' 33' ' ' PHE . 28.1 m 61.52 -172.18 0.15 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 123.406 0.441 . . . . 73.239999999999995 111.023 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -114.94 143.01 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.872 0.368 . . . . 62.240000000000002 110.353 177.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 86' ' ' ASP . 0.1 OUTLIER -98.36 94.59 6.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.059 -0.519 . . . . 73.239999999999995 110.982 179.003 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.98 121.53 38.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.651 -0.704 . . . . 73.219999999999999 109.592 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.877 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 37.8 m-70 -87.79 116.34 25.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.476 -0.329 . . . . 62.409999999999997 110.252 -178.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.0 mt -81.82 116.98 27.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.973 -0.558 . . . . 72.150000000000006 110.284 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.545 ' OG1' ' HA ' ' A' ' 91' ' ' HIS . 40.9 p -118.8 137.13 53.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.156 -0.475 . . . . 74.030000000000001 110.524 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -95.17 131.8 40.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.133 -0.692 . . . . 75.010000000000005 109.133 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HA ' ' NE2' ' A' ' 91' ' ' HIS . . . -56.11 -44.92 79.57 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.142 0.423 . . . . 71.420000000000002 112.142 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -75.32 -18.6 59.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.266 -0.424 . . . . 62.149999999999999 111.875 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.9 mt -130.4 97.55 4.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.916 0.339 . . . . 75.120000000000005 111.916 -173.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -66.71 -24.34 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.035 0.445 . . . . 74.340000000000003 110.475 176.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 m -66.19 -26.19 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.942 -0.572 . . . . 73.150000000000006 110.785 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -88.06 102.43 14.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.185 -0.461 . . . . 73.209999999999994 109.973 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -145.52 63.2 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.725 -0.671 . . . . 75.030000000000001 109.978 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.25 134.37 34.14 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.781 -0.645 . . . . 43.25 110.657 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.454 ' HA ' ' HA ' ' A' ' 18' ' ' HIS . 5.7 p-10 -81.14 129.84 34.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.099 0.476 . . . . 75.329999999999998 109.836 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.19 160.63 18.06 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 116.056 -0.52 . . . . 72.25 109.68 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -116.06 118.93 34.26 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.341 0.591 . . . . 64.430000000000007 110.126 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.509 ' O ' ' HB3' ' A' ' 14' ' ' SER . 90.6 m-85 -127.27 153.71 45.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.838 -0.619 . . . . 65.230000000000004 110.015 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 p -96.92 117.75 65.56 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 116.138 -0.483 . . . . 74.510000000000005 109.959 176.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.79 -5.14 6.86 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.999 2.466 . . . . 74.200000000000003 113.254 -176.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -69.12 -19.8 64.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.858 0.361 . . . . 75.400000000000006 110.198 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.9 ttt -88.94 136.63 32.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.86 -0.609 . . . . 64.349999999999994 110.306 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.5 m -79.58 139.99 37.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.266 -0.424 . . . . 70.219999999999999 110.628 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.48 -27.19 42.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.248 0.547 . . . . 72.209999999999994 110.568 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.606 ' HA ' ' NZ ' ' A' ' 43' ' ' LYS . 6.0 tp10 -59.19 -32.43 69.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.776 -0.647 . . . . 74.030000000000001 111.059 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.33 4.16 53.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.866 0.365 . . . . 70.510000000000005 111.313 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.2 t -97.61 -30.74 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.477 -0.329 . . . . 61.420000000000002 111.051 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.606 ' NZ ' ' HA ' ' A' ' 40' ' ' GLU . 59.2 mttp -56.12 -57.01 14.0 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.058 -0.519 . . . . 70.450000000000003 112.039 -174.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.12 -38.82 92.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.42 -0.354 . . . . 74.25 111.004 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.38 -42.94 99.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 71.040000000000006 110.853 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.42 -40.7 89.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 73.099999999999994 110.467 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -61.04 -46.6 90.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.657 -0.701 . . . . 74.430000000000007 111.036 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -79.0 -6.35 56.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.363 -0.38 . . . . 72.140000000000001 111.187 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -90.64 -50.68 5.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.407 -0.36 . . . . 73.239999999999995 110.705 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.7 t -170.08 -24.76 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.227 -0.442 . . . . 71.409999999999997 111.677 -174.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.26 172.33 38.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.896 -0.668 . . . . 45.119999999999997 112.668 -178.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 p -90.13 -175.31 4.5 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.567 0.222 . . . . 65.340000000000003 111.193 -178.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -57.69 134.04 55.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 62.530000000000001 111.341 -175.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.82 88.86 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.104 0.478 . . . . 74.040000000000006 109.9 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.6 t30 178.36 -58.88 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.066 -0.97 . . . . 71.319999999999993 109.015 -175.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.95 -13.13 36.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.956 -1.02 . . . . 74.109999999999999 110.475 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.9 ttp -98.03 101.95 13.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.652 -0.704 . . . . 64.319999999999993 109.926 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.549 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -99.82 145.87 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.86 0.362 . . . . 52.229999999999997 111.189 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.7 mt -108.93 96.18 6.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.274 -0.421 . . . . 75.340000000000003 110.523 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -102.18 111.14 23.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.07 0.462 . . . . 75.140000000000001 110.95 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.728 ' H ' ' HB2' ' A' ' 70' ' ' ALA . 41.7 tp -82.41 110.09 17.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.903 -0.59 . . . . 71.140000000000001 110.233 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -89.09 140.12 29.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.971 -0.559 . . . . 62.25 110.876 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.464 ' HB2' HG13 ' A' ' 69' ' ' VAL . 27.5 t70 -82.09 78.46 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.051 -0.722 . . . . 75.310000000000002 109.051 173.565 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 70.55 -65.69 0.32 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.545 -1.207 . . . . 74.109999999999999 111.13 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -168.62 120.09 0.78 Allowed 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 123.858 0.863 . . . . 32.219999999999999 108.95 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.79 141.98 3.08 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.563 -0.827 . . . . 74.340000000000003 111.306 -175.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m 62.92 103.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.627 0.727 . . . . 71.140000000000001 111.102 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 pttp -91.63 132.52 36.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.926 -0.579 . . . . 74.049999999999997 109.774 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.464 HG13 ' HB2' ' A' ' 63' ' ' ASP . 29.7 m -98.84 9.98 7.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.329 0.585 . . . . 60.109999999999999 110.838 -174.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.728 ' HB2' ' H ' ' A' ' 61' ' ' LEU . . . -84.27 87.02 7.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.758 -0.655 . . . . 75.439999999999998 110.813 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.6 p -89.38 -21.44 6.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.985 -0.552 . . . . 74.400000000000006 110.397 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 56.14 80.94 0.13 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.688 -0.687 . . . . 62.530000000000001 111.033 -176.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.3 t -138.42 -36.17 0.58 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.437 -0.802 . . . . 71.430000000000007 109.69 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.24 26.28 9.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.465 0.65 . . . . 72.209999999999994 109.675 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.462 ' CG ' ' HZ1' ' A' ' 43' ' ' LYS . 12.2 t70 -59.83 -42.41 93.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.874 -1.057 . . . . 72.0 111.407 -178.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.1 m -96.12 17.34 15.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 111.431 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -110.25 160.2 29.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.09 -0.337 . . . . 75.219999999999999 110.09 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.88 106.86 1.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.334 2.023 . . . . 74.129999999999995 111.268 173.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.481 ' O ' HD13 ' A' ' 79' ' ' LEU . 1.5 tm? -61.72 -32.53 72.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 73.040000000000006 110.417 -176.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.54 -14.92 60.9 Favored Glycine 0 CA--C 1.518 0.256 0 CA-C-N 115.867 -0.606 . . . . 75.209999999999994 112.872 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -78.74 -31.69 46.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.055 0.455 . . . . 72.430000000000007 109.879 175.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -78.04 -74.47 0.26 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.747 -0.66 . . . . 74.420000000000002 109.928 -178.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.9 m -162.32 129.83 2.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 73.209999999999994 111.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -83.68 126.72 4.1 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.237 1.958 . . . . 70.200000000000003 111.431 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -146.75 162.09 39.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.853 0.359 . . . . 71.409999999999997 111.593 -176.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.529 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . 4.6 p-10 -141.67 146.62 36.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 65.319999999999993 109.749 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.82 -31.48 3.91 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.424 -0.893 . . . . 72.230000000000004 112.221 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' HB3' HD11 ' A' ' 61' ' ' LEU . 74.5 m-85 -66.5 146.89 54.03 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.913 0.387 . . . . 61.119999999999997 110.163 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.877 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 56.4 mtm180 -119.51 127.61 53.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.035 0.445 . . . . 74.230000000000004 111.141 -176.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.7 mt -82.0 108.83 15.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.51 -0.768 . . . . 74.519999999999996 109.892 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.545 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 5.7 t-160 -92.16 96.35 10.27 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.863 -0.791 . . . . 71.200000000000003 108.863 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.76 111.82 3.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.876 -0.602 . . . . 74.530000000000001 110.303 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.549 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 42.8 mm -93.0 78.81 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.997 -0.742 . . . . 63.240000000000002 108.997 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -90.63 99.8 12.76 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.651 0.739 . . . . 61.539999999999999 109.753 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.525 ' HG ' HG22 ' A' ' 93' ' ' ILE . 86.5 mt -103.84 21.51 16.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.493 -0.776 . . . . 73.439999999999998 110.775 -175.813 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 4.7 m-20 -55.78 136.89 71.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.105 -0.498 . . . . 71.409999999999997 110.722 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 50.9 Cg_exo . . . . . 0 C--O 1.246 0.887 0 C-N-CA 123.294 2.663 . . . . 62.340000000000003 112.572 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.013 0.435 . . . . 63.130000000000003 110.32 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.71 71.81 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.942 -0.647 . . . . 53.450000000000003 112.005 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -67.47 109.86 3.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.773 0.32 . . . . 64.150000000000006 110.198 177.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -92.97 126.01 37.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.033 0.444 . . . . 63.020000000000003 111.374 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -117.26 157.28 26.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.824 -0.625 . . . . 72.099999999999994 109.613 176.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -125.04 142.56 51.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.956 0.408 . . . . 75.030000000000001 111.045 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -86.36 57.52 4.53 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.912 -0.773 . . . . 64.010000000000005 108.912 175.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -87.33 110.75 20.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.635 -0.711 . . . . 75.400000000000006 110.536 -175.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.8 p -58.79 139.21 56.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.310000000000002 110.822 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -150.46 148.39 28.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.562 -0.29 . . . . 62.43 110.649 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.65 121.76 8.94 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 108.892 -1.683 . . . . 60.539999999999999 108.892 165.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -76.15 80.95 2.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.751 0.786 . . . . 72.420000000000002 111.539 -169.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -145.61 106.41 4.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.6 -1.182 . . . . 71.530000000000001 108.818 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.768 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 55.8 m -152.61 161.57 42.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.475 -0.329 . . . . 52.350000000000001 110.633 -175.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 m -95.5 169.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.128 -0.487 . . . . 72.329999999999998 110.502 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -122.48 84.04 2.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.471 -0.331 . . . . 63.32 110.151 -176.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 33' ' ' PHE . 86.2 mt -76.74 110.46 11.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.071 0.462 . . . . 64.25 110.146 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.406 ' HB2' ' HD3' ' A' ' 89' ' ' ARG . 59.4 m-70 -85.15 102.83 13.6 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.84 -0.618 . . . . 74.430000000000007 110.29 -175.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.516 HD13 ' HB2' ' A' ' 90' ' ' LEU . 51.3 mm -88.03 122.59 39.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.058 -0.519 . . . . 52.030000000000001 110.405 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 m -139.22 125.09 19.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.35 -0.386 . . . . 52.130000000000003 110.705 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.412 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 7.7 m-70 -84.57 160.84 20.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.5 -0.318 . . . . 73.129999999999995 110.61 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.59 -27.49 15.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.205 0.526 . . . . 44.210000000000001 109.76 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.11 -53.13 10.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.5 -0.773 . . . . 72.409999999999997 109.807 176.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.46 101.51 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.849 -0.614 . . . . 72.409999999999997 109.482 176.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -77.47 -21.56 52.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.078 -0.51 . . . . 72.150000000000006 111.519 -175.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.6 m -97.28 9.96 40.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.18 0.514 . . . . 75.400000000000006 110.569 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -94.21 93.0 7.52 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.367 -0.605 . . . . 74.200000000000003 109.367 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.8 m -113.68 99.53 7.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.809 -0.632 . . . . 63.509999999999998 110.341 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.37 127.19 50.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.057 -0.519 . . . . 73.230000000000004 109.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -100.87 105.06 16.3 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.142 0.496 . . . . 71.439999999999998 109.82 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.52 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -93.5 100.04 12.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.597 -0.729 . . . . 71.099999999999994 111.05 -175.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 32' ' ' ARG . 4.4 ptm180 -87.36 122.3 30.94 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.802 -0.636 . . . . 71.109999999999999 109.94 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.52 ' CE2' ' HB1' ' A' ' 31' ' ' ALA . 67.9 m-85 -133.67 139.43 46.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.906 -0.588 . . . . 75.409999999999997 110.448 -179.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 22.3 m -69.45 136.09 88.56 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.365 -0.606 . . . . 61.020000000000003 109.365 174.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.768 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 6.1 Cg_exo -72.61 77.07 2.25 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.512 2.141 . . . . 34.329999999999998 112.576 -175.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -176.29 74.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.962 -0.563 . . . . 74.25 109.939 173.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.5 ttt -153.15 147.02 25.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.964 -0.562 . . . . 70.549999999999997 109.841 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -86.18 134.84 33.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.968 0.413 . . . . 73.310000000000002 110.356 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.517 HG11 HD21 ' A' ' 72' ' ' LEU . 36.3 t -64.07 -29.89 48.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.535 . . . . 72.340000000000003 110.627 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.62 -29.27 69.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.812 -0.631 . . . . 71.329999999999998 110.855 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.23 -44.11 31.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 53.43 111.136 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.55 -36.35 70.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 120.808 -0.357 . . . . 73.040000000000006 110.808 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -61.39 -37.4 83.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.952 0.406 . . . . 74.319999999999993 110.513 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.406 ' HG2' ' HE3' ' A' ' 48' ' ' LYS . 36.4 tt0 -65.02 -41.55 95.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.202 -0.454 . . . . 73.200000000000003 110.974 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -67.46 -31.92 72.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.487 -0.324 . . . . 75.329999999999998 110.378 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.5 mt -72.83 -39.4 66.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 72.129999999999995 110.196 175.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -57.63 -38.37 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.699 -0.682 . . . . 73.430000000000007 110.569 177.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HE3' ' HG2' ' A' ' 44' ' ' GLU . 99.4 mttt -67.35 -5.23 13.52 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.839 -0.619 . . . . 74.340000000000003 112.345 -178.226 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -81.67 -42.96 19.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.867 0.365 . . . . 70.430000000000007 110.901 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.7 p -110.6 -25.47 9.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.292 -0.413 . . . . 72.540000000000006 111.647 -177.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.99 25.71 63.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.675 -0.774 . . . . 44.140000000000001 111.561 -176.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.3 m -142.84 138.29 30.21 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.46 -0.57 . . . . 62.25 109.46 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.5 m -59.75 138.14 57.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.916 0.388 . . . . 72.099999999999994 111.282 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.3 t -70.66 108.59 2.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 72.329999999999998 109.87 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -139.64 -32.47 0.64 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.076 -0.511 . . . . 54.140000000000001 111.325 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.8 p -81.09 -59.85 2.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.867 0.365 . . . . 64.129999999999995 111.115 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.5 ttm -67.22 120.5 13.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 64.540000000000006 110.573 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.511 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -89.2 140.23 29.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.3 -0.409 . . . . 73.299999999999997 111.319 -175.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.7 mt -113.64 118.1 33.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.975 -0.557 . . . . 74.140000000000001 109.588 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -109.78 135.32 50.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.942 0.401 . . . . 65.409999999999997 111.418 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.672 ' HB3' ' HA ' ' A' ' 70' ' ' ALA . 65.9 tp -101.79 109.21 20.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.481 -0.781 . . . . 74.200000000000003 109.759 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.456 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 63.2 m-85 -110.15 133.47 53.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.206 0.527 . . . . 74.109999999999999 111.795 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.807 ' HB3' ' HB2' ' A' ' 67' ' ' SER . 6.8 t70 -86.95 118.22 26.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.331 -0.849 . . . . 74.349999999999994 109.587 174.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 70.08 -63.73 0.38 Allowed 'General case' 0 C--O 1.235 0.291 0 O-C-N 124.211 0.944 . . . . 62.109999999999999 110.817 -177.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.7 m -164.79 -65.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.89 -0.596 . . . . 71.099999999999994 111.237 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.0 -13.68 52.02 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.566 -0.826 . . . . 55.5 114.104 -170.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.807 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 15.7 m -74.4 106.32 5.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.237 0.519 . . . . 75.129999999999995 110.601 -178.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -82.21 89.95 6.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.033 0.444 . . . . 61.009999999999998 109.91 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.1 m -111.27 40.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.929 -0.578 . . . . 75.319999999999993 110.869 -175.594 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.672 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -70.26 93.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.838 -0.619 . . . . 62.240000000000002 111.388 -177.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.5 p -146.23 119.05 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.965 -0.561 . . . . 73.140000000000001 110.202 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.517 HD21 HG11 ' A' ' 39' ' ' VAL . 59.9 tp -146.24 119.32 8.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.074 -0.512 . . . . 74.310000000000002 110.169 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -122.31 -24.05 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.277 -0.42 . . . . 73.540000000000006 110.861 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.725 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -96.06 52.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.074 0.464 . . . . 55.549999999999997 111.096 -178.501 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.411 ' HA ' ' HB ' ' A' ' 39' ' ' VAL . 3.4 m-20 -57.65 -38.85 75.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.447 0.642 . . . . 54.509999999999998 110.885 177.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 p -90.35 21.73 3.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.702 -0.681 . . . . 64.439999999999998 111.564 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.725 ' HB2' ' HB2' ' A' ' 74' ' ' ASP . 13.9 mmt180 -125.16 154.8 71.72 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.18 -0.464 . . . . 73.299999999999997 110.531 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.563 ' O ' ' HD1' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -71.59 121.59 7.83 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.563 2.175 . . . . 71.219999999999999 112.211 178.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -53.94 -19.8 5.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.094 -0.503 . . . . 74.329999999999998 111.756 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.41 -31.83 77.82 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.005 -0.616 . . . . 73.109999999999999 113.481 -177.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' PHE . . . . . 0.563 ' HD1' ' O ' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -83.69 -13.33 54.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.43 0.615 . . . . 74.120000000000005 110.265 -177.0 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -77.83 -23.98 48.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.8 -0.636 . . . . 71.450000000000003 110.482 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m 64.79 90.78 0.08 OUTLIER Pre-proline 0 C--O 1.234 0.246 0 CA-C-N 115.839 -0.619 . . . . 74.219999999999999 110.793 -176.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.26 164.42 26.74 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.666 2.244 . . . . 73.329999999999998 112.579 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -73.81 -68.7 0.49 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.964 -0.562 . . . . 72.209999999999994 110.266 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -174.07 -68.63 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.231 0.539 . . . . 72.140000000000001 109.981 175.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.59 97.04 0.2 Allowed Glycine 0 N--CA 1.439 -1.16 0 C-N-CA 120.679 -0.772 . . . . 65.219999999999999 112.515 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -81.05 163.14 23.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.803 0.335 . . . . 74.040000000000006 110.209 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.456 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 23.0 mmt180 -95.38 98.54 10.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.11 -0.495 . . . . 74.099999999999994 110.575 177.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.516 ' HB2' HD13 ' A' ' 19' ' ' ILE . 91.2 mt -85.15 83.79 7.9 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.881 -0.785 . . . . 72.310000000000002 108.881 175.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -87.83 100.64 13.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.381 -0.827 . . . . 72.510000000000005 110.003 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 72.2 mt -69.02 115.34 7.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.304 -0.862 . . . . 75.030000000000001 110.274 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.511 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 43.9 mm -83.03 102.63 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.98 -0.555 . . . . 72.209999999999994 109.503 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 13.0 m-20 -70.27 88.52 0.63 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.918 -0.583 . . . . 74.400000000000006 110.441 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -83.95 12.38 6.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.558 -0.746 . . . . 73.430000000000007 109.935 178.822 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -113.67 93.5 28.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.333 -0.849 . . . . 70.219999999999999 109.762 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 C--O 1.246 0.915 0 C-N-CA 123.187 2.591 . . . . 70.439999999999998 111.919 -178.616 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptm . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.685 0.279 . . . . 73.349999999999994 110.463 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.55 76.29 1.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 62.530000000000001 112.953 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -148.47 96.37 2.59 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.126 -0.324 . . . . 74.150000000000006 110.126 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -76.29 162.48 27.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.469 0.652 . . . . 72.409999999999997 111.728 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -141.35 63.85 1.43 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.072 -1.455 . . . . 73.120000000000005 107.072 172.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -119.75 103.31 9.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.747 -0.66 . . . . 71.040000000000006 111.602 -171.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -139.28 -178.07 5.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.821 -0.627 . . . . 71.109999999999999 109.537 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -141.36 79.71 1.7 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.309 0.576 . . . . 73.140000000000001 110.779 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 t -100.26 99.5 10.18 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.417 -0.811 . . . . 75.420000000000002 109.268 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -68.24 106.57 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.051 -0.522 . . . . 62.539999999999999 109.913 -177.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.1 -33.08 0.79 Allowed Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.65 -0.786 . . . . 74.120000000000005 111.953 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.8 t70 57.67 43.0 22.95 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.922 0.868 . . . . 65.329999999999998 109.062 -178.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.41 84.43 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.872 -1.058 . . . . 72.310000000000002 109.936 -177.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.0 m -155.52 165.93 35.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.155 -0.475 . . . . 52.509999999999998 109.863 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.65 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 19.3 m -92.17 126.31 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.84 -0.43 . . . . 62.130000000000003 109.84 176.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -90.43 89.15 7.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.128 0.489 . . . . 45.109999999999999 110.931 -174.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -88.75 108.12 19.32 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.026 -0.534 . . . . 75.209999999999994 110.064 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -79.76 125.23 29.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.873 0.368 . . . . 71.209999999999994 110.775 -174.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.467 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 65.7 mt -85.5 121.93 37.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.107 -0.497 . . . . 74.120000000000005 110.294 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 91' ' ' HIS . 21.2 m -111.21 105.5 14.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.068 0.461 . . . . 72.519999999999996 109.887 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 9.6 t-160 -82.53 147.99 28.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.005 -0.543 . . . . 73.430000000000007 109.669 -177.548 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.8 -63.93 1.07 Allowed 'General case' 0 C--O 1.233 0.209 0 N-CA-C 111.674 0.25 . . . . 65.109999999999999 111.674 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -64.15 -48.03 77.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 74.230000000000004 110.837 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 8.4 mp -88.02 91.63 8.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.349 -0.612 . . . . 72.409999999999997 109.349 175.561 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -64.81 -39.04 92.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.583 -0.735 . . . . 72.129999999999995 112.289 -173.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.5 m -97.89 79.93 2.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.198 0.523 . . . . 61.420000000000002 110.611 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 29' ' ' ALA . 35.7 t80 -98.29 95.16 7.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.882 -0.784 . . . . 62.240000000000002 108.882 177.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.9 m -85.45 79.19 9.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.949 -0.568 . . . . 73.25 111.12 -176.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . . . -159.9 112.84 2.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.803 -0.635 . . . . 53.509999999999998 110.805 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -94.51 130.73 40.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.708 -0.478 . . . . 65.319999999999993 109.708 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.421 ' HB1' ' HE2' ' A' ' 33' ' ' PHE . . . -86.93 87.39 7.45 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.493 -0.558 . . . . 73.439999999999998 109.493 177.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.65 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 8.5 ptp180 -88.71 114.1 24.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.391 0.615 . . . . 73.140000000000001 110.696 -177.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.421 ' HE2' ' HB1' ' A' ' 31' ' ' ALA . 96.0 m-85 -124.12 161.59 25.31 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.698 -0.683 . . . . 71.209999999999994 109.798 177.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.461 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 19.6 m -55.65 135.63 71.44 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.213 -0.448 . . . . 74.049999999999997 110.728 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 37.3 Cg_exo -61.57 -12.8 26.26 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.885 2.39 . . . . 65.310000000000002 112.328 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 78' ' ' PRO . 69.6 mt-30 -88.2 -3.52 58.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.992 -0.549 . . . . 73.5 111.058 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.7 ttt -83.82 139.89 32.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.213 -0.449 . . . . 73.519999999999996 111.037 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.438 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 9.4 p -101.56 162.34 12.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.709 -0.678 . . . . 71.349999999999994 110.12 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.515 ' O ' HG12 ' A' ' 42' ' ' VAL . 8.7 p -69.38 -13.93 17.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 121.415 0.626 . . . . 73.400000000000006 110.494 -177.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.09 -33.29 68.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.769 -0.651 . . . . 54.100000000000001 110.84 176.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.43 8.43 5.13 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.604 0.594 . . . . 75.230000000000004 112.604 -171.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 39' ' ' VAL . 7.4 p -122.53 -12.08 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.681 -0.408 . . . . 75.340000000000003 110.81 177.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -62.54 -58.83 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.245 0.545 . . . . 65.549999999999997 111.305 -175.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -73.19 -26.72 61.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.552 -0.749 . . . . 70.340000000000003 110.392 -177.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 30.5 ttmt -66.06 -43.59 87.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.286 -0.87 . . . . 74.109999999999999 110.692 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.5 mt -74.88 -33.52 62.08 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.964 0.412 . . . . 64.420000000000002 110.514 177.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -58.45 -46.58 86.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.705 -0.679 . . . . 62.350000000000001 111.211 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -82.46 0.42 42.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.83 0.348 . . . . 75.329999999999998 111.294 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.532 ' HG2' ' SG ' ' A' ' 50' ' ' CYS . 56.3 tttp -88.05 -61.05 1.8 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.361 -0.381 . . . . 75.549999999999997 110.965 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.532 ' SG ' ' HG2' ' A' ' 49' ' ' LYS . 63.3 m -112.54 6.58 18.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.724 0.268 . . . . 73.230000000000004 111.724 -174.66 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.12 48.58 85.41 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.74 -0.743 . . . . 40.43 112.211 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.6 t -133.25 158.99 41.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.707 0.289 . . . . 65.019999999999996 110.421 -175.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.0 m -96.18 149.19 21.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.117 -0.492 . . . . 74.239999999999995 109.997 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.9 m -65.5 -16.21 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 73.030000000000001 111.539 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -81.41 -19.14 43.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.399 0.619 . . . . 63.420000000000002 109.997 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 m -91.18 2.39 56.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.896 -0.593 . . . . 52.420000000000002 110.271 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 ttt -122.5 97.84 5.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.559 -0.746 . . . . 71.120000000000005 109.759 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.542 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -72.93 111.44 8.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.14 0.495 . . . . 74.25 111.198 -176.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.412 ' CD2' HG12 ' A' ' 92' ' ' ILE . 95.6 mt -113.6 107.52 15.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.705 -0.679 . . . . 65.219999999999999 110.82 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.665 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 51.8 mt-10 -91.73 95.44 9.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.027 0.442 . . . . 74.230000000000004 110.156 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.519 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 65.2 tp -79.56 100.44 7.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.767 -0.651 . . . . 74.409999999999997 110.823 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.581 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 24.1 m-85 -90.75 160.3 15.88 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.652 -0.499 . . . . 64.25 109.652 176.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -61.51 -47.41 85.72 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.42 -0.585 . . . . 64.310000000000002 109.42 171.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.744 ' HA ' ' HG2' ' A' ' 89' ' ' ARG . 31.3 t70 161.22 -34.86 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 125.029 1.331 . . . . 71.030000000000001 107.74 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -76.01 -42.21 48.71 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.585 -1.188 . . . . 62.340000000000003 110.388 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.68 -1.74 0.62 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.197 -1.002 . . . . 75.109999999999999 113.131 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.9 m -88.56 125.1 34.63 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.566 -0.531 . . . . 55.140000000000001 109.566 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 24.2 pttm -69.36 123.74 22.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.361 0.6 . . . . 74.5 110.218 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -109.23 15.79 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.808 -0.633 . . . . 71.049999999999997 110.593 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -80.25 77.77 6.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.605 -0.725 . . . . 75.219999999999999 111.133 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.6 -30.42 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.879 -0.6 . . . . 74.409999999999997 109.519 174.28 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 54.02 72.75 0.43 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 114.984 -1.007 . . . . 55.299999999999997 111.465 176.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 t -133.67 1.6 3.38 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.879 0.847 . . . . 52.409999999999997 108.786 171.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -116.78 23.54 11.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.745 -1.116 . . . . 61.350000000000001 109.829 -173.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.488 ' HA ' HG12 ' A' ' 39' ' ' VAL . 7.0 p-10 -54.26 -43.53 71.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.476 -0.784 . . . . 71.439999999999998 111.993 -175.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.13 26.83 9.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.084 -0.507 . . . . 54.350000000000001 110.834 -177.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -130.34 154.66 81.54 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 62.409999999999997 110.501 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.441 ' HB3' ' HA ' ' A' ' 36' ' ' GLN . 37.4 Cg_endo -67.56 129.53 20.25 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.5 2.134 . . . . 70.120000000000005 112.093 177.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.538 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 56.6 tp -63.86 -32.15 73.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 64.150000000000006 111.166 -178.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.2 -18.65 69.46 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 116.205 -0.452 . . . . 64.400000000000006 112.783 -177.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -76.63 -26.21 54.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.104 0.478 . . . . 74.219999999999999 110.279 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -75.21 -26.71 59.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 64.340000000000003 110.748 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 t 64.19 71.0 0.62 Allowed Pre-proline 0 CA--C 1.532 0.28 0 CA-C-O 121.343 0.592 . . . . 64.310000000000002 109.843 -174.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.538 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 66.0 Cg_endo -98.18 -172.11 0.15 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.435 2.757 . . . . 74.450000000000003 113.345 -176.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -89.18 130.56 35.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.522 -0.763 . . . . 74.310000000000002 109.829 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -83.9 91.64 7.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.239 0.542 . . . . 72.540000000000006 110.783 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 142.01 50.42 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.66 -0.781 . . . . 73.230000000000004 112.762 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -77.05 167.48 21.73 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.751 0.31 . . . . 73.409999999999997 110.746 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.744 ' HG2' ' HA ' ' A' ' 64' ' ' ASP . 13.4 mmt180 -111.62 110.78 21.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.208 -0.451 . . . . 63.039999999999999 111.07 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 19' ' ' ILE . 94.2 mt -90.23 86.87 6.63 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.918 -0.401 . . . . 72.319999999999993 109.918 174.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.665 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 11.3 t-80 -81.18 104.94 12.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.993 0.425 . . . . 55.509999999999998 110.444 -177.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.412 HG12 ' CD2' ' A' ' 59' ' ' LEU . 59.7 mt -88.07 112.5 23.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.601 -0.727 . . . . 42.310000000000002 110.147 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.542 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 49.0 mm -71.28 126.42 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.546 -0.538 . . . . 64.540000000000006 109.546 176.036 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.1 93.04 6.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.075 0.464 . . . . 53.32 111.099 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.43 ' H ' HD23 ' A' ' 95' ' ' LEU . 2.5 pt? -135.06 13.22 3.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.66 -0.7 . . . . 64.030000000000001 110.073 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.471 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 31.4 t70 -83.31 115.67 60.38 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.937 -0.574 . . . . 72.5 110.693 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 8.0 Cg_exo . . . . . 0 C--O 1.251 1.155 0 C-N-CA 123.415 2.743 . . . . 72.549999999999997 112.408 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.713 0.292 . . . . 61.43 110.309 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.55 84.3 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.833 -0.699 . . . . 74.150000000000006 112.157 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -80.72 117.39 21.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.114 0.483 . . . . 75.209999999999994 110.162 177.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -116.08 100.11 7.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.074 -0.512 . . . . 75.209999999999994 110.119 -176.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -87.67 100.93 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.046 -0.661 . . . . 63.039999999999999 110.411 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -158.45 41.38 0.26 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.677 0.751 . . . . 63.549999999999997 110.316 173.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -122.42 34.26 5.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.277 -0.874 . . . . 72.109999999999999 108.713 171.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -162.57 86.96 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.753 -1.112 . . . . 70.310000000000002 109.067 -174.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -177.48 155.99 1.14 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.191 -0.459 . . . . 64.530000000000001 110.127 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -110.44 11.68 23.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.136 0.493 . . . . 73.010000000000005 109.827 172.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.25 122.84 3.37 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.717 -0.754 . . . . 64.230000000000004 111.592 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -134.92 -169.12 2.29 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.701 -0.852 . . . . 72.530000000000001 108.701 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -64.46 138.44 58.42 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.248 -0.649 . . . . 55.310000000000002 109.248 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 m -140.71 140.02 34.81 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.72 0.295 . . . . 75.400000000000006 110.635 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.5 m -92.76 113.9 28.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.363 0.601 . . . . 63.020000000000003 109.408 173.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -84.63 90.39 7.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.787 -0.642 . . . . 55.229999999999997 110.075 -176.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.5 mt -80.49 126.58 31.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.696 -0.684 . . . . 75.319999999999993 110.412 -177.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -99.01 101.38 12.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.81 0.338 . . . . 73.209999999999994 110.736 176.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.433 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 73.7 mt -75.18 121.2 26.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.922 -0.581 . . . . 71.0 110.042 178.038 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.9 m -120.89 106.69 11.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.81 -0.632 . . . . 73.519999999999996 109.728 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.414 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 5.3 t-160 -88.57 139.01 30.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.265 -0.425 . . . . 71.420000000000002 110.185 -175.46 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.52 -71.08 0.34 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.32 0.489 . . . . 72.230000000000004 112.32 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.467 ' H ' ' HB3' ' A' ' 94' ' ' ASP . 64.2 t30 -55.39 -48.86 73.68 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.758 0.313 . . . . 62.539999999999999 110.765 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 96.7 mt -90.24 92.61 9.0 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.535 -0.542 . . . . 71.349999999999994 109.535 173.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -70.57 -32.76 70.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.929 -0.578 . . . . 54.240000000000002 111.486 -174.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.6 m -89.23 19.0 4.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.276 -0.42 . . . . 72.310000000000002 111.31 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -85.52 100.36 11.86 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.656 -0.498 . . . . 71.400000000000006 109.656 177.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p -103.58 123.01 46.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.994 -0.548 . . . . 71.340000000000003 110.879 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -150.49 101.42 2.95 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.11 -0.495 . . . . 73.420000000000002 111.032 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -101.33 105.79 16.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.663 0.744 . . . . 74.349999999999994 109.799 174.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.54 137.07 42.94 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.599 -0.728 . . . . 44.43 110.887 -175.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -105.88 116.08 31.33 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.136 -0.484 . . . . 65.010000000000005 110.24 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -117.25 171.63 7.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.971 -0.559 . . . . 73.299999999999997 110.708 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 m -74.74 137.86 73.64 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.137 -0.483 . . . . 73.310000000000002 110.452 177.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.14 163.46 31.5 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.516 2.144 . . . . 73.340000000000003 111.756 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.675 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 45.1 mt-30 66.79 24.42 9.87 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.877 -0.601 . . . . 74.209999999999994 110.62 -177.441 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.4 ttt -76.61 139.07 40.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.462 -0.79 . . . . 75.319999999999993 110.156 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -85.42 142.45 29.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.16 0.505 . . . . 71.439999999999998 110.76 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.609 ' O ' HG12 ' A' ' 42' ' ' VAL . 38.9 t -71.04 -24.26 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.87 -0.605 . . . . 74.510000000000005 111.12 -176.34 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 32.6 tt0 -62.07 -18.55 61.05 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.929 0.395 . . . . 73.340000000000003 110.975 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.91 89.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 75.420000000000002 111.046 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.0 p -80.01 -18.49 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.106 0.479 . . . . 74.430000000000007 110.255 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.58 ' O ' ' HB2' ' A' ' 47' ' ' TRP . 55.4 mmtt -64.85 -28.26 69.43 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.655 -0.702 . . . . 52.200000000000003 110.597 177.042 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -94.95 -33.18 12.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 54.340000000000003 110.497 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 1.037 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -62.55 -38.56 90.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.115 -0.493 . . . . 74.319999999999993 111.351 -174.751 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.436 ' HB2' HG11 ' A' ' 54' ' ' VAL . 94.1 mt -96.19 0.87 51.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.132 0.492 . . . . 72.239999999999995 110.823 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.58 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 5.7 t90 -79.91 3.81 18.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.959 -0.564 . . . . 72.049999999999997 110.511 -175.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -102.29 -1.7 30.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 50.439999999999998 110.534 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -99.78 -47.5 5.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.909 0.385 . . . . 75.140000000000001 110.238 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.9 p -136.47 120.27 17.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.059 -0.518 . . . . 54.219999999999999 110.859 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -82.48 6.51 68.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.089 -0.576 . . . . 74.319999999999993 112.153 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -87.79 14.0 9.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.856 0.36 . . . . 73.430000000000007 110.316 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.9 t 71.87 145.26 0.07 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.537 -0.756 . . . . 65.040000000000006 110.252 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG11 ' HB2' ' A' ' 46' ' ' LEU . 10.5 m -73.12 85.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.906 0.86 . . . . 71.420000000000002 110.894 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -127.92 -45.84 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.041 -0.981 . . . . 74.519999999999996 109.749 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 p -79.67 1.08 27.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.721 -0.672 . . . . 74.25 110.553 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.612 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 43.0 ttp -141.19 39.88 1.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.396 -0.965 . . . . 70.200000000000003 108.396 177.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.13 165.71 23.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.094 -0.957 . . . . 52.240000000000002 111.845 -175.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.437 ' CD2' HG12 ' A' ' 92' ' ' ILE . 80.3 mt -104.38 111.18 23.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.641 -0.709 . . . . 73.319999999999993 111.097 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.622 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 11.9 mm-40 -81.19 94.63 6.71 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.474 -0.565 . . . . 71.310000000000002 109.474 172.123 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.432 HD13 HD23 ' A' ' 90' ' ' LEU . 42.9 tp -83.4 108.98 16.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.182 -0.463 . . . . 72.439999999999998 110.34 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.551 ' HE1' ' HE2' ' A' ' 68' ' ' LYS . 58.9 m-85 -105.16 84.95 2.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.744 -0.662 . . . . 73.120000000000005 110.605 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -84.78 164.61 18.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.127 -0.488 . . . . 71.340000000000003 110.461 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.3 t70 62.24 21.16 12.28 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.503 -0.771 . . . . 65.409999999999997 110.126 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.4 m 78.06 -41.09 0.32 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.085 -0.961 . . . . 73.049999999999997 113.074 174.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.51 13.15 5.14 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 119.597 -1.287 . . . . 21.350000000000001 114.507 -173.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.2 m -119.75 138.0 53.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.756 0.778 . . . . 61.439999999999998 110.903 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.551 ' HE2' ' HE1' ' A' ' 62' ' ' TYR . 15.5 ptpt -92.29 129.67 38.17 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.619 -0.512 . . . . 74.319999999999993 109.619 176.784 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.5 m -122.27 16.04 5.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.224 -0.444 . . . . 73.329999999999998 111.548 -174.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.18 60.39 3.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.189 0.519 . . . . 64.450000000000003 110.928 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 p -97.81 -14.12 7.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.694 -0.685 . . . . 70.140000000000001 110.269 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 59.09 71.62 0.57 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.368 -0.833 . . . . 72.340000000000003 111.813 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 p -133.5 18.24 3.96 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.163 -1.051 . . . . 64.409999999999997 108.163 173.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.586 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -148.49 23.59 1.01 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.079 -1.419 . . . . 53.210000000000001 110.48 -165.252 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.52 -34.55 74.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.465 -0.789 . . . . 63.340000000000003 111.585 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.6 m -126.09 21.71 7.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.005 0.431 . . . . 72.120000000000005 110.071 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.586 ' CG ' ' HA ' ' A' ' 74' ' ' ASP . 26.8 mmm180 -88.51 134.4 34.34 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.888 -0.597 . . . . 72.430000000000007 110.709 -177.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -65.71 114.56 2.98 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.352 2.035 . . . . 51.25 111.684 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.675 ' H ' ' HA ' ' A' ' 36' ' ' GLN . 93.6 mt -61.2 -16.34 43.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 75.140000000000001 111.889 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.533 ' H ' ' HG2' ' A' ' 36' ' ' GLN . . . -70.82 -34.16 66.1 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.895 -0.669 . . . . 64.010000000000005 111.994 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -71.93 -24.95 61.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.352 0.596 . . . . 73.019999999999996 110.232 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -91.36 -2.56 57.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.576 -0.738 . . . . 63.299999999999997 110.186 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 17.7 m 69.71 111.09 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.573 -0.74 . . . . 54.030000000000001 110.09 -174.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 83' ' ' SER . 18.1 Cg_endo -58.97 139.99 93.31 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.874 2.383 . . . . 73.219999999999999 113.189 -174.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -101.48 142.61 32.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.863 -0.791 . . . . 55.130000000000003 108.863 175.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -89.55 10.0 24.57 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.402 0.519 . . . . 64.430000000000007 112.402 -172.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -163.55 67.81 0.22 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 119.813 -1.184 . . . . 31.149999999999999 113.513 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.423 ' HB3' HD11 ' A' ' 61' ' ' LEU . 90.7 m-85 -65.64 133.96 52.24 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.684 -0.487 . . . . 64.540000000000006 109.684 175.805 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 62' ' ' TYR . 29.1 mmt180 -104.78 101.34 10.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.068 0.461 . . . . 74.239999999999995 111.416 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.432 HD23 HD13 ' A' ' 61' ' ' LEU . 88.9 mt -93.1 95.44 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.743 -0.662 . . . . 71.230000000000004 110.441 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.622 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 10.5 t-80 -90.2 100.55 13.36 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.781 -0.452 . . . . 71.129999999999995 109.781 177.654 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.437 HG12 ' CD2' ' A' ' 59' ' ' LEU . 52.4 mt -73.42 115.6 14.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.796 -0.638 . . . . 63.43 110.331 -178.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.612 ' O ' ' HA ' ' A' ' 57' ' ' MET . 46.8 mm -72.66 91.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.23 -0.656 . . . . 74.439999999999998 109.23 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.467 ' HB3' ' H ' ' A' ' 23' ' ' ASN . 7.3 t70 -95.42 83.78 3.89 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.716 -0.675 . . . . 51.100000000000001 109.979 -176.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 94.4 mt -119.02 -9.56 10.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.34 -0.845 . . . . 64.340000000000003 110.462 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 13.2 t70 -72.99 119.71 77.02 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 75.549999999999997 110.447 -177.361 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 22.8 Cg_exo . . . . . 0 C--O 1.251 1.157 0 C-N-CA 123.159 2.573 . . . . 75.329999999999998 112.54 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 111.466 0.173 . . . . 71.200000000000003 111.466 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.43 -35.22 1.56 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.592 -0.814 . . . . 71.120000000000005 112.203 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -73.45 101.98 3.66 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.241 -0.651 . . . . 63.329999999999998 109.241 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -73.3 138.56 45.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.377 0.608 . . . . 71.239999999999995 111.797 -171.585 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -122.98 150.9 42.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.362 -0.836 . . . . 71.439999999999998 109.232 173.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 68.19 -173.89 0.19 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.837 0.455 . . . . 45.399999999999999 111.161 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -172.18 157.43 4.23 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.581 -0.896 . . . . 75.450000000000003 108.581 174.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.406 ' O ' ' HB2' ' A' ' 9' ' ' SER . 5.1 p80 -127.22 -161.96 1.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.736 0.273 . . . . 75.310000000000002 111.736 -174.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 8' ' ' HIS . 40.9 m 82.4 119.96 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 O-C-N 124.252 0.97 . . . . 64.25 111.933 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 74.09 18.79 3.11 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.045 -0.979 . . . . 71.329999999999998 112.3 173.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.82 73.92 2.41 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.008 -0.837 . . . . 52.140000000000001 111.008 174.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -94.72 147.22 23.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.431 0.158 . . . . 72.230000000000004 110.773 -176.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 t70 63.54 31.92 14.47 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.597 0.713 . . . . 74.340000000000003 109.603 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 33' ' ' PHE . 68.2 p -72.46 129.07 37.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.283 -0.871 . . . . 42.130000000000003 111.375 -175.583 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.607 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 18.5 m -75.05 135.84 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.845 -0.616 . . . . 73.010000000000005 110.184 177.322 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.419 ' HE2' ' CG ' ' A' ' 30' ' ' ASP . 18.2 t-160 -94.22 106.74 18.72 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.953 -0.567 . . . . 71.049999999999997 110.403 -176.467 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.68 HD21 ' HD2' ' A' ' 85' ' ' PHE . 94.8 mt -107.66 157.87 17.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.833 -0.622 . . . . 74.420000000000002 110.68 -178.186 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.801 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 83.0 m-70 -125.71 100.66 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.138 -0.483 . . . . 73.109999999999999 109.866 177.28 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.598 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 61.5 mt -84.35 98.38 5.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.212 0.53 . . . . 71.319999999999993 109.889 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.8 p -88.22 121.27 30.43 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.5 -0.773 . . . . 72.349999999999994 111.539 -175.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -91.34 132.51 36.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.167 -0.679 . . . . 70.519999999999996 109.167 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.71 -37.89 22.12 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.659 0.244 . . . . 65.239999999999995 111.659 -175.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASN . . . . . 0.442 ' HB2' ' CG ' ' A' ' 94' ' ' ASP . 16.4 t-20 -56.47 -48.36 77.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.373 0.606 . . . . 70.019999999999996 109.779 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mp -121.63 96.05 4.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.527 -0.761 . . . . 75.430000000000007 109.076 173.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -67.18 -20.67 65.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.105 0.478 . . . . 72.109999999999999 110.969 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.5 t -77.04 -4.92 46.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.064 -0.516 . . . . 71.140000000000001 110.209 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -104.98 91.79 3.96 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.221 0.534 . . . . 74.430000000000007 110.105 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.7 t -108.68 109.56 20.77 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.993 -0.743 . . . . 25.02 108.993 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.598 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -77.05 100.7 5.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.11 0.481 . . . . 63.229999999999997 110.234 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.419 ' CG ' ' HE2' ' A' ' 16' ' ' HIS . 11.6 t70 -70.99 110.74 5.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.423 -0.808 . . . . 61.439999999999998 109.763 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.03 155.24 29.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.266 0.555 . . . . 70.430000000000007 111.724 -172.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.607 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 18.3 ptt180 -148.32 120.26 8.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.333 -0.848 . . . . 62.229999999999997 109.81 177.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 14' ' ' SER . 94.0 m-85 -133.67 -170.67 2.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.048 -0.523 . . . . 62.439999999999998 110.928 -176.249 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.8 p -94.71 149.7 36.85 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.134 -0.485 . . . . 64.540000000000006 110.569 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.463 ' HB3' ' HA3' ' A' ' 80' ' ' GLY . 30.3 Cg_exo -63.32 -15.92 51.27 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.756 2.304 . . . . 65.129999999999995 112.622 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -77.0 -14.46 59.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.510000000000005 110.697 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.1 ttt -67.08 125.98 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.115 0.483 . . . . 62.219999999999999 110.958 -178.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.1 p -107.15 168.12 9.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.689 -0.687 . . . . 60.350000000000001 109.988 176.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.921 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 51.1 t -70.1 -32.68 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.593 -0.521 . . . . 73.310000000000002 109.593 176.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.631 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . 33.3 tt0 -56.17 -44.74 79.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.821 -0.627 . . . . 60.009999999999998 110.148 174.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.48 -46.9 87.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.478 -0.783 . . . . 60.439999999999998 111.957 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.0 p -71.04 -39.89 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 120.907 -0.317 . . . . 73.25 111.666 -176.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.631 ' HE2' ' HA ' ' A' ' 40' ' ' GLU . 47.5 mtmt -59.11 -45.66 90.31 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.33 0.586 . . . . 75.219999999999999 110.247 178.451 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.4 -35.95 71.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.335 -0.848 . . . . 75.25 110.951 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -67.64 -33.14 74.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.121 -0.49 . . . . 71.409999999999997 111.01 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.823 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 94.9 mt -77.68 -28.28 51.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.167 0.508 . . . . 52.229999999999997 110.224 177.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -70.07 -45.99 65.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.756 -0.656 . . . . 70.540000000000006 109.97 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 ptmp? -77.14 -7.46 55.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 72.200000000000003 110.6 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.683 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -77.3 -56.03 4.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 51.210000000000001 110.51 177.383 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.1 t -151.04 -59.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.314 -0.403 . . . . 64.329999999999998 110.365 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.27 30.52 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.222 -0.99 . . . . 65.230000000000004 112.555 178.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.823 ' HB ' ' HB3' ' A' ' 46' ' ' LEU . 24.4 m -91.11 84.47 5.71 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.474 0.654 . . . . 74.519999999999996 110.059 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.2 m -77.49 -9.64 59.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.298 -0.865 . . . . 51.210000000000001 111.143 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.1 t 64.6 80.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.632 -0.713 . . . . 70.200000000000003 109.438 -174.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -108.13 -75.11 0.64 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.673 -0.694 . . . . 75.239999999999995 111.118 -175.014 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 t -97.6 7.0 47.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.235 0.54 . . . . 54.340000000000003 110.175 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.0 ttp -84.16 94.55 8.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.841 -0.618 . . . . 61.119999999999997 109.831 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -74.74 128.72 36.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.91 -0.586 . . . . 72.25 110.693 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.0 mt -114.88 104.64 12.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.104 -0.498 . . . . 55.240000000000002 110.437 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.835 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 50.4 mt-10 -79.49 128.18 33.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.361 -0.382 . . . . 62.130000000000003 110.13 176.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.6 tp -91.36 101.51 14.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.304 -0.407 . . . . 74.340000000000003 110.281 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.577 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 56.3 m-85 -99.63 138.57 36.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.038 -0.528 . . . . 74.349999999999994 110.302 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -88.31 48.88 1.7 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.591 0.71 . . . . 53.119999999999997 109.475 175.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.5 t70 69.92 65.56 0.23 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 114.551 -1.204 . . . . 75.230000000000004 111.147 -176.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.5 m 56.75 21.75 6.26 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.073 -0.967 . . . . 51.310000000000002 113.376 173.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.82 -65.4 1.14 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.321 -0.942 . . . . 44.210000000000001 111.571 177.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.2 p -141.65 173.72 11.24 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.616 -0.513 . . . . 74.129999999999995 109.616 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' HE2' ' OH ' ' A' ' 62' ' ' TYR . 73.2 mttt -96.28 90.58 5.51 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.778 -0.453 . . . . 73.310000000000002 109.778 174.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.3 m -84.89 41.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.589 0.709 . . . . 70.420000000000002 110.526 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.0 80.3 4.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.393 -0.821 . . . . 15.32 111.569 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.99 104.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.409 -0.814 . . . . 52.210000000000001 109.099 171.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 39' ' ' VAL . 57.8 tp -119.48 96.82 5.36 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.608 -0.724 . . . . 65.299999999999997 110.905 -174.103 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.5 m -89.85 -50.31 6.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.997 -0.547 . . . . 71.120000000000005 110.713 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -102.24 100.72 10.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 72.530000000000001 110.115 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.921 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 11.0 p-10 -111.31 -16.3 13.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.012 0.434 . . . . 72.530000000000001 110.448 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 35.2 t -83.27 -18.43 39.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.549 0.69 . . . . 75.219999999999999 109.676 175.101 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.0 mmm-85 -88.76 143.98 32.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.243 -0.889 . . . . 73.409999999999997 109.757 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.97 115.61 3.05 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.405 2.07 . . . . 75.129999999999995 111.372 174.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.06 -36.0 74.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 72.319999999999993 111.328 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 35' ' ' PRO . . . -67.44 -17.29 68.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.148 -0.549 . . . . 71.329999999999998 113.12 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -70.16 -31.93 69.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.142 0.496 . . . . 72.299999999999997 110.077 178.361 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -91.39 -52.57 4.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.732 -0.667 . . . . 74.019999999999996 109.772 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.3 m -155.29 129.17 4.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.782 -0.645 . . . . 54.229999999999997 110.072 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.82 112.89 1.2 Allowed 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.233 1.955 . . . . 75.5 111.215 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.68 ' HD2' HD21 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -74.44 90.82 2.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.906 0.86 . . . . 72.129999999999995 110.896 -177.816 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -107.9 129.05 55.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.571 -1.195 . . . . 73.409999999999997 110.67 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.66 -6.34 65.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.045 -0.597 . . . . 63.109999999999999 113.436 173.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -61.08 132.51 54.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.455 0.645 . . . . 71.540000000000006 111.085 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.801 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 73.5 mtt180 -108.19 118.61 37.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.205 -0.907 . . . . 72.430000000000007 110.505 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.54 102.44 13.52 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.064 -0.717 . . . . 74.140000000000001 109.064 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.835 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 9.3 t-80 -88.39 102.72 15.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.908 0.385 . . . . 74.010000000000005 110.312 -177.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.7 mt -77.49 111.23 14.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.52 -0.764 . . . . 62.310000000000002 110.299 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.551 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 45.8 mm -74.78 106.2 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.064 0.459 . . . . 73.200000000000003 110.119 177.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.442 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 15.1 m-20 -85.18 88.16 7.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.992 -0.549 . . . . 73.400000000000006 110.897 -177.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 pp -96.93 4.49 51.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.466 -0.788 . . . . 74.230000000000004 109.256 171.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 19.9 t70 -100.84 119.69 57.62 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 114.555 -1.202 . . . . 55.039999999999999 109.95 -179.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 15.0 Cg_exo . . . . . 0 C--O 1.249 1.031 0 C-N-CA 122.776 2.317 . . . . 54.420000000000002 111.942 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.513 -0.551 . . . . 63.130000000000003 109.513 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.98 42.48 1.52 Allowed Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.446 -0.883 . . . . 53.450000000000003 112.959 -174.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -70.44 114.71 8.82 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.52 -0.548 . . . . 64.150000000000006 109.52 175.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.4 p-80 -130.71 145.5 51.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.933 -0.395 . . . . 63.020000000000003 109.933 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -131.39 123.7 28.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.194 0.521 . . . . 72.099999999999994 111.3 -177.086 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -111.58 141.6 44.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.991 -0.549 . . . . 75.030000000000001 110.053 175.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -91.98 88.34 6.54 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.29 -0.414 . . . . 64.010000000000005 110.411 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -84.3 99.05 10.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.074 -1.084 . . . . 75.400000000000006 108.074 173.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -59.18 109.65 0.9 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.355 -0.839 . . . . 74.310000000000002 112.624 -169.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.9 p80 -168.35 162.66 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.701 -1.136 . . . . 62.43 108.994 174.211 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.31 -171.24 38.17 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.591 -0.814 . . . . 60.539999999999999 112.281 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -78.23 82.88 4.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.383 0.611 . . . . 72.420000000000002 110.254 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -130.01 93.41 3.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.322 -0.853 . . . . 71.530000000000001 109.166 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.689 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 68.4 m -159.69 145.33 15.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.669 -0.696 . . . . 52.350000000000001 110.42 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.592 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 26.3 m -92.3 135.66 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.379 -0.373 . . . . 72.329999999999998 110.513 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -78.01 83.64 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.973 0.416 . . . . 63.32 111.413 -174.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.555 HD12 ' HD2' ' A' ' 33' ' ' PHE . 93.4 mt -81.53 107.67 14.48 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.116 -0.493 . . . . 64.25 109.856 175.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -91.32 113.51 25.79 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.32 -0.4 . . . . 74.430000000000007 110.828 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.441 HD13 HD12 ' A' ' 90' ' ' LEU . 39.9 mm -74.62 113.4 13.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.596 -0.729 . . . . 52.030000000000001 109.739 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.6 m -118.92 113.73 21.49 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.864 0.364 . . . . 52.130000000000003 110.765 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.462 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 3.0 m-70 -84.08 162.32 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.196 -0.457 . . . . 73.129999999999995 110.338 176.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.38 -36.54 10.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.95 0.405 . . . . 44.210000000000001 110.092 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -71.83 -50.25 31.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.791 -0.64 . . . . 72.409999999999997 110.084 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 24' ' ' LEU . 5.7 mp -81.08 107.03 13.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.669 -0.696 . . . . 72.409999999999997 109.841 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -68.8 -33.61 74.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 72.150000000000006 111.522 -176.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.0 t -112.62 88.66 2.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.061 0.457 . . . . 75.400000000000006 109.896 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -134.63 87.05 2.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.099 -0.5 . . . . 74.200000000000003 109.989 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 m -93.21 99.25 11.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.739 -0.664 . . . . 63.509999999999998 110.112 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.92 106.0 7.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.147 -0.479 . . . . 73.230000000000004 111.16 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -87.83 116.18 25.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.83 -0.623 . . . . 71.439999999999998 109.419 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.6 78.65 1.39 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.491 -0.559 . . . . 71.099999999999994 109.491 176.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.592 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 22.0 ptt-85 -81.97 108.6 15.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.477 0.656 . . . . 71.109999999999999 110.805 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.555 ' HD2' HD12 ' A' ' 17' ' ' LEU . 96.7 m-85 -97.4 155.84 16.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.275 -0.875 . . . . 75.409999999999997 109.963 177.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.448 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 15.9 m -62.46 131.84 94.08 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.048 -0.524 . . . . 61.020000000000003 110.417 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.689 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 1.5 Cg_endo -76.87 63.68 7.55 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.633 2.222 . . . . 34.329999999999998 111.802 -176.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.615 ' HA ' ' H ' ' A' ' 80' ' ' GLY . 7.4 tt0 -160.49 18.58 0.14 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.676 -0.693 . . . . 74.25 109.306 173.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.4 ttt -101.14 146.83 26.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.205 -0.907 . . . . 70.549999999999997 109.473 -176.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.7 m -87.33 147.48 25.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.779 0.323 . . . . 73.310000000000002 110.737 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.437 HG12 ' HE3' ' A' ' 43' ' ' LYS . 22.8 t -64.74 -35.59 75.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 72.340000000000003 110.959 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.8 -28.71 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.329999999999998 111.463 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.65 86.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 53.43 111.409 -176.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 39' ' ' VAL . 13.9 p -72.33 -30.41 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.99 0.424 . . . . 73.040000000000006 109.988 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HE3' HG12 ' A' ' 39' ' ' VAL . 97.0 mttt -65.11 -32.81 74.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 74.319999999999993 110.814 176.419 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.747 ' HG2' ' HE2' ' A' ' 48' ' ' LYS . 36.7 tt0 -58.65 -43.51 89.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.856 -0.611 . . . . 73.200000000000003 111.305 -176.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -74.87 -31.29 61.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.71 0.29 . . . . 75.329999999999998 110.683 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.7 -35.14 70.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.132 0.491 . . . . 72.129999999999995 110.074 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -68.94 -48.82 62.28 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.608 -0.724 . . . . 73.430000000000007 110.461 176.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.747 ' HE2' ' HG2' ' A' ' 44' ' ' GLU . 57.4 mtmt -77.07 2.58 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.504 -0.316 . . . . 74.340000000000003 111.344 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -73.4 -57.41 4.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.961 0.41 . . . . 70.430000000000007 110.462 176.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.5 p -109.08 -7.76 15.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.253 -0.43 . . . . 72.540000000000006 111.038 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.85 26.91 57.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 44.140000000000001 111.378 -177.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.0 m -130.81 139.94 50.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.853 -0.425 . . . . 62.25 109.853 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.9 m -63.96 137.11 57.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.263 -0.273 . . . . 72.099999999999994 110.263 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.6 t -72.51 86.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.206 0.527 . . . . 72.329999999999998 110.414 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -127.74 -51.18 1.36 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.741 -0.663 . . . . 54.140000000000001 110.549 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.491 ' HB3' ' HG ' ' A' ' 95' ' ' LEU . 12.2 m -59.42 -49.59 77.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.251 -0.432 . . . . 64.129999999999995 110.813 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.5 ttm -77.84 100.13 6.21 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.532 -0.544 . . . . 64.540000000000006 109.532 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.23 116.59 17.07 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.027 -0.533 . . . . 73.299999999999997 111.335 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 78.1 mt -94.33 92.73 7.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.828 -0.623 . . . . 74.140000000000001 109.486 176.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 45.7 mt-10 -82.51 132.51 35.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.325 -0.398 . . . . 65.409999999999997 111.096 -176.669 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.5 tp -95.27 111.02 22.94 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.32 -0.622 . . . . 74.200000000000003 109.32 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.582 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 8.1 m-30 -103.99 127.52 51.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.781 0.324 . . . . 74.109999999999999 111.066 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.854 ' HB3' ' HB2' ' A' ' 67' ' ' SER . 11.6 t70 -83.94 103.83 13.52 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.26 -1.015 . . . . 74.349999999999994 108.26 169.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 28.4 t70 71.97 -64.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 124.222 0.952 . . . . 62.109999999999999 110.427 -175.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.3 m -179.63 -46.26 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.532 0.733 . . . . 71.099999999999994 111.225 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.63 -19.47 68.28 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.902 -0.666 . . . . 55.5 114.011 -172.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.854 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 17.8 m -104.59 106.61 17.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 117.075 0.437 . . . . 75.129999999999995 111.379 -177.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -80.36 88.42 5.57 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.069 -0.715 . . . . 61.009999999999998 109.069 175.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.7 m -85.77 100.28 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.877 0.846 . . . . 75.319999999999993 111.456 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.22 97.33 8.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.301 -0.863 . . . . 62.240000000000002 110.567 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 p -139.05 118.02 13.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.608 -0.724 . . . . 73.140000000000001 109.939 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.1 tp -124.31 14.05 8.93 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.8 -0.36 . . . . 74.310000000000002 111.257 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.0 m -70.09 -17.51 63.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.035 0.445 . . . . 73.540000000000006 111.158 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.489 ' HA ' ' HG3' ' A' ' 77' ' ' ARG . 5.2 m-20 -108.68 20.4 18.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 55.549999999999997 111.148 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.71 -43.62 96.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.039 0.447 . . . . 54.509999999999998 110.489 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.5 m -85.32 18.82 2.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.623 -0.717 . . . . 64.439999999999998 110.772 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.539 ' HA ' ' HE ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -119.38 151.52 51.43 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-O 120.685 0.278 . . . . 73.299999999999997 111.229 -173.302 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -69.04 129.06 17.66 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.02 1.814 . . . . 71.219999999999999 110.481 169.347 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.683 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 20.8 tp -56.49 -26.51 54.48 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.968 0.359 . . . . 74.329999999999998 111.968 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.615 ' H ' ' HA ' ' A' ' 36' ' ' GLN . . . -69.58 -29.16 71.57 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.826 -0.702 . . . . 73.109999999999999 112.459 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -72.9 -35.01 67.0 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.631 -0.507 . . . . 74.120000000000005 109.631 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -72.7 -34.77 67.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.642 -0.708 . . . . 71.450000000000003 110.966 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 t 65.3 94.15 0.05 OUTLIER Pre-proline 0 C--N 1.332 -0.157 0 CA-C-N 115.905 -0.589 . . . . 74.219999999999999 109.942 -175.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . 0.683 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 61.4 Cg_endo -90.58 -163.81 0.14 Allowed 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.064 2.509 . . . . 73.329999999999998 112.516 -177.038 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -103.07 -172.01 2.04 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.626 -0.509 . . . . 72.209999999999994 109.626 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -54.55 -42.65 71.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.104 0.478 . . . . 72.140000000000001 110.683 176.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.02 176.19 40.81 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 115.694 -0.685 . . . . 65.219999999999999 112.0 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -135.32 155.55 50.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.802 0.334 . . . . 74.040000000000006 110.305 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.582 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 17.0 mmt180 -100.48 106.34 17.88 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.893 -0.594 . . . . 74.099999999999994 110.106 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 19' ' ' ILE . 97.8 mt -90.2 97.96 11.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.99 -0.55 . . . . 72.310000000000002 110.132 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 27.2 t-80 -88.0 97.15 10.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.828 -0.624 . . . . 72.510000000000005 109.544 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.7 mt -82.12 113.8 21.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.675 -0.693 . . . . 75.030000000000001 110.789 -177.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.1 mm -74.94 104.4 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.377 -0.601 . . . . 72.209999999999994 109.377 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.462 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 2.5 m-20 -66.93 113.1 4.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.012 -0.54 . . . . 74.400000000000006 111.413 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.496 ' O ' ' HD3' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -84.79 9.94 12.78 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.706 -0.85 . . . . 73.430000000000007 108.706 174.309 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -105.89 91.12 4.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 114.934 -1.03 . . . . 70.219999999999999 108.66 174.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 95' ' ' LEU . 2.6 Cg_endo . . . . . 0 C--O 1.252 1.19 0 C-N-CA 123.428 2.752 . . . . 70.439999999999998 112.377 -173.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.801 0.334 . . . . 65.439999999999998 110.209 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.27 -161.9 27.97 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.831 -0.7 . . . . 73.219999999999999 111.397 -177.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -139.08 126.18 21.22 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 122.617 -0.343 . . . . 72.010000000000005 110.543 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -72.62 110.52 7.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.102 -0.499 . . . . 73.310000000000002 110.008 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -68.4 125.14 25.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.827 -0.435 . . . . 44.030000000000001 109.827 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -158.62 -170.78 3.19 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.319 -0.623 . . . . 62.240000000000002 109.319 177.651 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -81.66 118.22 22.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.103 0.478 . . . . 72.010000000000005 111.093 -177.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -72.75 -42.45 64.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.428 -0.806 . . . . 74.150000000000006 109.885 177.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 p -165.14 132.06 2.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.719 -0.673 . . . . 74.400000000000006 111.064 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.23 -82.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.569 -0.53 . . . . 63.130000000000003 109.569 174.386 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 46.79 68.01 1.25 Allowed Glycine 0 C--N 1.337 0.603 0 O-C-N 123.564 0.54 . . . . 73.230000000000004 113.194 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.18 77.74 1.28 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.594 0.197 . . . . 71.010000000000005 111.014 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 47.48 79.56 0.06 Allowed 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.875 0.734 . . . . 63.299999999999997 111.229 -177.01 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.9 p -66.31 98.63 0.48 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.581 -0.736 . . . . 73.319999999999993 111.712 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 30.4 m -75.58 137.94 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.333 -0.617 . . . . 64.519999999999996 109.333 172.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -98.12 96.91 8.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.09 0.471 . . . . 71.239999999999995 111.089 -176.614 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -94.42 112.76 24.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.54 -0.754 . . . . 74.049999999999997 109.305 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -86.04 117.54 24.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.124 0.488 . . . . 71.409999999999997 110.255 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 mm -94.6 129.2 45.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.458 -0.792 . . . . 73.109999999999999 110.39 -176.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -130.52 124.05 31.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.313 -0.403 . . . . 50.109999999999999 110.223 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.13 138.41 34.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 73.549999999999997 110.522 -178.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.63 -22.48 66.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.276 -0.42 . . . . 62.509999999999998 111.439 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -77.99 -26.44 48.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 53.229999999999997 111.186 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.3 mt -133.71 106.48 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.557 -0.292 . . . . 74.219999999999999 110.866 -173.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -73.98 -13.27 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 54.130000000000003 111.027 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -87.82 -7.48 57.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.023 0.44 . . . . 72.530000000000001 110.205 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -84.59 93.2 8.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.106 0.479 . . . . 65.409999999999997 111.014 -174.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 m -123.06 89.34 3.09 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.971 -0.751 . . . . 63.119999999999997 108.971 172.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.23 146.42 26.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.748 -0.66 . . . . 63.130000000000003 111.089 -174.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -102.8 117.34 34.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.077 -0.511 . . . . 64.319999999999993 109.999 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.16 132.65 56.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.224 -0.443 . . . . 45.329999999999998 110.356 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 18.3 ptt180 -112.63 147.3 37.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.887 0.375 . . . . 72.430000000000007 111.017 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.446 ' O ' HG22 ' A' ' 15' ' ' VAL . 15.4 t80 -160.75 -179.41 7.57 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.983 -0.747 . . . . 74.140000000000001 108.983 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.446 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 22.7 p -85.57 139.91 35.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 120.525 0.202 . . . . 62.109999999999999 110.818 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 16.6 Cg_exo -67.52 -17.51 48.62 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.306 2.671 . . . . 43.520000000000003 112.84 -176.344 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -82.36 17.4 1.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.013 0.435 . . . . 73.540000000000006 110.914 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.4 ttt -74.93 143.86 43.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.95 -0.568 . . . . 73.329999999999998 110.688 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 m -118.89 149.04 42.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.056 -0.52 . . . . 60.409999999999997 110.001 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.737 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 35.1 t -66.13 -31.4 53.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.378 -0.374 . . . . 65.129999999999995 110.355 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 36.1 tt0 -54.34 -45.69 72.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.056 0.455 . . . . 64.519999999999996 110.004 174.246 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.5 95.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.368 -0.833 . . . . 74.030000000000001 111.806 -175.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 39' ' ' VAL . 12.4 p -71.75 -31.81 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 120.715 -0.394 . . . . 53.310000000000002 110.867 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HB3' ' NZ ' ' A' ' 43' ' ' LYS . 9.1 mtpm? -70.27 -41.5 73.35 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.165 -0.309 . . . . 74.219999999999999 110.165 177.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 56.8 mt-10 -59.76 -41.32 90.77 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.307 0.575 . . . . 74.140000000000001 109.581 174.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -62.83 -50.97 68.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.071 -0.968 . . . . 71.049999999999997 110.518 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.86 -40.76 97.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 72.0 111.153 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TRP . . . . . 0.725 ' HD1' HG23 ' A' ' 52' ' ' THR . 14.9 t90 -56.78 -46.13 81.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 75.030000000000001 111.231 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.29 -29.83 48.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.506 -0.316 . . . . 63.450000000000003 111.268 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -75.94 -73.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.586 -0.279 . . . . 71.540000000000006 111.312 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 80.2 m -152.62 -58.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 64.129999999999995 110.968 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.72 81.44 0.75 Allowed Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.949 -0.569 . . . . 43.43 113.261 -175.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.725 HG23 ' HD1' ' A' ' 47' ' ' TRP . 26.1 m -71.75 -41.84 67.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.143 0.497 . . . . 64.450000000000003 109.811 176.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 p -123.39 108.65 12.95 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.697 -0.683 . . . . 64.230000000000004 110.634 177.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 m -81.03 97.09 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.501 0.667 . . . . 71.340000000000003 110.795 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -108.36 -58.31 2.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.466 -0.788 . . . . 73.209999999999994 110.838 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.53 ' CB ' ' HB2' ' A' ' 96' ' ' ASP . 14.4 m -88.22 5.72 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.002 -0.544 . . . . 61.299999999999997 111.527 -172.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.6 ttp -133.15 103.86 6.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.001 -0.545 . . . . 73.120000000000005 109.78 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.583 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -99.24 131.89 44.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.024 -0.535 . . . . 73.540000000000006 110.742 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 77.4 mt -95.62 95.95 8.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.998 -0.546 . . . . 74.209999999999994 110.265 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -91.34 114.84 27.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.274 -0.421 . . . . 72.340000000000003 110.43 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 68.3 tp -100.01 111.72 24.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.15 -0.477 . . . . 73.430000000000007 110.643 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.598 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 0.7 OUTLIER -96.51 152.69 18.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.02 -0.537 . . . . 74.109999999999999 109.713 177.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.97 -179.88 4.56 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.162 -0.681 . . . . 74.239999999999995 109.162 173.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -68.07 -26.97 66.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 65.209999999999994 111.613 -176.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -71.79 -36.67 70.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.437 -0.347 . . . . 72.530000000000001 110.357 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.65 25.25 2.91 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.792 -0.718 . . . . 64.329999999999998 112.296 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -114.17 150.68 33.84 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.277 -0.268 . . . . 64.530000000000001 110.277 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 118.11 22.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.406 0.622 . . . . 73.049999999999997 110.469 176.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -110.09 9.9 8.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.672 -0.695 . . . . 71.120000000000005 110.85 -177.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -73.45 103.01 3.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.707 -0.679 . . . . 63.539999999999999 111.246 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.93 118.86 14.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.08 -0.509 . . . . 75.030000000000001 110.306 176.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.85 75.36 10.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.094 0.473 . . . . 62.340000000000003 110.858 -176.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.6 m -118.2 -44.71 2.67 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.853 -0.612 . . . . 72.129999999999995 109.658 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.428 ' HB3' ' CG ' ' A' ' 77' ' ' ARG . 5.0 m-20 -115.24 83.34 1.9 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 65.530000000000001 109.587 173.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.737 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 3.8 p30 -96.79 -17.28 20.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.734 -0.666 . . . . 62.219999999999999 110.848 -176.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.0 m -97.66 19.85 12.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.14 -0.482 . . . . 71.230000000000004 110.835 -174.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' CG ' ' HB3' ' A' ' 74' ' ' ASP . 15.6 mmm-85 -114.09 152.79 46.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 109.703 -0.48 . . . . 72.420000000000002 109.703 -178.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.37 101.47 1.26 Allowed 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.113 1.875 . . . . 63.539999999999999 111.03 171.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.72 -31.82 73.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 72.099999999999994 111.594 -175.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.92 10.97 23.25 Favored Glycine 0 CA--C 1.517 0.192 0 C-N-CA 121.007 -0.616 . . . . 45.149999999999999 112.883 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -91.9 -22.21 20.18 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.574 -0.528 . . . . 73.0 109.574 175.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -71.72 -50.59 28.86 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.091 -0.707 . . . . 73.019999999999996 109.091 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.0 p -154.61 152.27 25.52 Favored Pre-proline 0 N--CA 1.446 -0.639 0 CA-C-N 115.028 -0.987 . . . . 42.32 108.649 174.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.2 -63.29 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.352 2.035 . . . . 75.129999999999995 111.492 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.488 ' HA ' ' CE2' ' A' ' 88' ' ' PHE . 25.1 p90 -175.16 98.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.328 0.585 . . . . 74.319999999999993 110.584 174.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.43 -60.56 3.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.758 -0.655 . . . . 62.109999999999999 110.401 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.48 53.97 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.668 -0.973 . . . . 64.319999999999993 110.668 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.488 ' CE2' ' HA ' ' A' ' 85' ' ' PHE . 78.6 m-85 -68.47 101.31 1.22 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.103 0.478 . . . . 74.150000000000006 110.7 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.598 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 11.4 mmt180 -101.99 115.65 30.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.689 -0.687 . . . . 62.329999999999998 110.257 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.6 mt -91.87 95.8 10.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.417 0.627 . . . . 65.239999999999995 110.749 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -86.25 91.64 8.53 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.616 -0.883 . . . . 62.219999999999999 108.616 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.3 mm -71.57 105.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.673 -0.694 . . . . 74.239999999999995 110.55 -174.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.583 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 39.6 mm -80.68 76.17 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 121.614 0.721 . . . . 70.319999999999993 109.446 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -88.78 96.24 10.6 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.805 -1.088 . . . . 52.450000000000003 108.742 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.65 -21.27 15.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.526 -0.761 . . . . 73.439999999999998 111.009 -172.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.53 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 7.5 t70 -64.62 112.19 7.33 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 72.409999999999997 111.245 -172.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 2.5 Cg_endo . . . . . 0 C--O 1.248 1.018 0 C-N-CA 122.943 2.428 . . . . 65.340000000000003 111.091 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 109.882 -0.414 . . . . 74.519999999999996 109.882 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.8 52.62 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.535 -0.841 . . . . 75.209999999999994 112.107 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -91.55 115.72 28.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.507 0.194 . . . . 74.430000000000007 111.308 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -102.18 100.23 10.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.684 0.754 . . . . 74.430000000000007 109.106 170.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -105.49 14.94 27.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.31 -0.859 . . . . 54.539999999999999 110.262 -173.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -83.17 126.45 32.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.686 -0.688 . . . . 74.219999999999999 110.216 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -141.25 142.19 33.94 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.461 -0.57 . . . . 75.409999999999997 109.461 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -93.71 -66.48 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.362 -0.236 . . . . 72.239999999999995 110.362 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 m 67.99 126.13 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 O-C-N 124.031 0.832 . . . . 71.420000000000002 111.225 -177.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -78.92 71.4 5.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.253 0.549 . . . . 64.400000000000006 109.966 177.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.84 141.48 15.41 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.395 -0.82 . . . . 45.009999999999998 111.393 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -91.04 -40.41 11.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.163 0.506 . . . . 74.439999999999998 110.131 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -96.38 104.83 16.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.657 -0.701 . . . . 53.439999999999998 110.587 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 p -166.23 120.47 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.082 -0.508 . . . . 73.019999999999996 110.833 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.3 m -119.04 144.34 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.347 -0.388 . . . . 63.020000000000003 110.636 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.778 ' H ' ' HB2' ' A' ' 86' ' ' ASP . 37.7 m80 -89.05 91.84 8.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.098 -0.501 . . . . 72.319999999999993 110.356 178.388 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 75.8 mt -78.14 93.37 4.54 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.308 -0.627 . . . . 64.340000000000003 109.308 174.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.712 ' HB2' ' HA ' ' A' ' 89' ' ' ARG . 74.8 m-70 -74.28 82.48 1.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.92 -0.582 . . . . 75.439999999999998 111.017 -176.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.47 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 70.8 mt -62.32 111.14 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.66 -0.496 . . . . 70.439999999999998 109.66 175.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.5 m -122.73 142.27 50.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.064 -0.516 . . . . 54.530000000000001 110.309 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.49 167.03 11.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.457 -0.338 . . . . 60.0 110.759 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.91 -45.12 14.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.1 -0.5 . . . . 61.450000000000003 110.377 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -72.55 -57.46 4.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.868 -0.605 . . . . 73.040000000000006 110.464 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 99.0 mt -75.02 102.39 4.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.921 -0.581 . . . . 70.439999999999998 110.479 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -63.86 -53.11 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.942 -0.572 . . . . 72.150000000000006 110.775 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -89.91 87.73 7.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.157 0.503 . . . . 75.140000000000001 109.681 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -127.29 92.1 3.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.748 -0.66 . . . . 74.219999999999999 110.174 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 m -85.41 94.15 8.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.631 -0.713 . . . . 54.25 110.311 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.47 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -124.96 26.34 7.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.78 -0.645 . . . . 21.420000000000002 110.151 177.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . 0.496 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 9.1 p-10 -72.99 118.89 16.5 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.826 0.822 . . . . 74.310000000000002 110.582 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.546 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . . . -115.2 146.2 41.65 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.342 -0.844 . . . . 75.450000000000003 110.191 177.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -78.37 98.97 6.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.403 0.621 . . . . 55.329999999999998 110.782 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 31' ' ' ALA . 75.1 m-85 -107.57 154.41 21.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.719 -0.673 . . . . 73.209999999999994 110.412 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' SER . . . . . 0.441 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 31.8 m -78.94 143.9 62.74 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 108.905 -0.776 . . . . 72.420000000000002 108.905 170.067 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 10.7 Cg_exo -71.89 30.57 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.18 2.587 . . . . 51.420000000000002 113.011 -175.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -115.28 20.54 14.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.04 0.448 . . . . 63.32 110.796 -177.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 56.9 ttp -120.77 106.55 11.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.771 -0.65 . . . . 74.129999999999995 109.775 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -78.73 159.0 28.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.057 0.456 . . . . 65.349999999999994 111.549 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.72 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 57.8 t -64.88 -28.0 43.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.828 -0.624 . . . . 64.019999999999996 110.749 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -54.65 -31.06 56.92 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.229 0.538 . . . . 60.420000000000002 110.907 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.5 -40.78 22.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 74.420000000000002 111.545 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' ' 39' ' ' VAL . 10.4 p -69.28 -32.58 54.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 120.868 -0.333 . . . . 55.340000000000003 110.898 -176.202 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -62.03 -44.5 96.58 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.879 0.371 . . . . 75.140000000000001 110.03 175.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -64.69 -39.63 93.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.63 -0.714 . . . . 53.140000000000001 110.256 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -67.85 -33.25 74.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.384 -0.826 . . . . 74.540000000000006 111.015 -176.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.3 mt -79.74 -35.98 38.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.206 0.527 . . . . 53.200000000000003 110.336 175.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -63.69 -33.53 75.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.443 -0.799 . . . . 74.209999999999994 110.663 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -94.46 5.74 50.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.245 -0.434 . . . . 74.549999999999997 111.124 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -100.67 -60.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.893 0.378 . . . . 74.409999999999997 110.397 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.5 m -99.12 -11.46 21.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.356 -0.384 . . . . 71.209999999999994 111.103 -176.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.06 35.54 90.73 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.749 -0.739 . . . . 52.240000000000002 111.82 -177.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.0 m -107.85 133.59 52.0 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.27 -0.27 . . . . 64.540000000000006 110.27 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.3 m -68.3 123.99 22.26 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.927 -0.397 . . . . 63.200000000000003 109.927 176.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.36 2.93 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 112.348 0.499 . . . . 73.519999999999996 112.348 -172.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -71.37 -15.37 62.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.242 0.544 . . . . 75.219999999999999 110.623 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.3 m -95.74 0.65 52.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.22 -0.446 . . . . 54.439999999999998 110.65 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.7 ttp -142.1 110.77 6.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 55.240000000000002 111.024 -174.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.04 148.78 28.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.376 -0.375 . . . . 64.209999999999994 110.027 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.2 mt -97.72 109.57 22.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.44 0.638 . . . . 74.219999999999999 110.761 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.702 ' HB3' ' HB3' ' A' ' 91' ' ' HIS . 2.4 tm-20 -90.03 153.61 20.44 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.849 -1.069 . . . . 74.120000000000005 108.779 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 88' ' ' PHE . 21.3 tp -132.35 104.64 6.83 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.185 -0.606 . . . . 52.119999999999997 112.068 -171.025 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.586 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 56.5 m-85 -87.04 146.47 26.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.62 -0.718 . . . . 72.310000000000002 109.126 171.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.465 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -115.89 153.5 31.41 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.529 -0.545 . . . . 75.310000000000002 109.529 174.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -90.97 23.38 3.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.643 0.609 . . . . 73.430000000000007 112.643 -174.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.0 t -122.87 -54.89 1.82 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.933 0.397 . . . . 53.420000000000002 110.118 175.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.71 -86.33 1.91 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 121.012 -0.614 . . . . 62.340000000000003 112.303 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.8 m -160.7 -76.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.944 0.402 . . . . 75.319999999999993 111.379 -177.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 4.4 mtpm? -138.9 102.42 4.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 54.439999999999998 109.854 -170.635 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 2.7 m -127.79 101.45 7.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.284 0.564 . . . . 75.049999999999997 110.817 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.75 110.18 18.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.884 -0.598 . . . . 72.420000000000002 110.53 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.498 ' HB ' ' OD1' ' A' ' 74' ' ' ASP . 46.9 t -68.27 -59.78 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.628 -0.508 . . . . 60.25 109.628 177.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp 71.51 5.54 5.44 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.626 -0.716 . . . . 63.100000000000001 111.253 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.45 ' H ' HG12 ' A' ' 71' ' ' VAL . 43.0 t -103.47 -6.68 21.58 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.231 -1.025 . . . . 73.409999999999997 108.231 172.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.498 ' OD1' ' HB ' ' A' ' 71' ' ' VAL . 9.0 p-10 -93.62 -15.82 24.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.449 -1.251 . . . . 72.25 110.525 -178.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.72 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 9.2 p-10 -61.57 -33.46 73.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.823 -0.626 . . . . 72.430000000000007 111.308 -175.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 p -105.5 10.51 33.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.681 -0.691 . . . . 63.210000000000001 111.138 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -118.31 159.77 42.18 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.431 -0.581 . . . . 61.240000000000002 109.431 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.04 110.38 0.67 Allowed 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 121.896 1.73 . . . . 74.129999999999995 110.769 172.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.6 tp -58.59 -27.12 64.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.385 -0.371 . . . . 75.530000000000001 111.642 -172.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.93 -10.43 83.85 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 121.185 -0.531 . . . . 73.409999999999997 112.654 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -78.31 -42.52 30.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.535 -0.543 . . . . 73.430000000000007 109.535 176.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -77.47 -41.66 38.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.827 -0.624 . . . . 72.150000000000006 110.233 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.1 t 67.79 91.37 0.07 OUTLIER Pre-proline 0 C--O 1.234 0.259 0 CA-C-N 115.807 -0.633 . . . . 53.450000000000003 111.004 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -90.33 177.09 2.44 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.14 2.56 . . . . 61.310000000000002 112.627 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.598 ' H ' ' HE2' ' A' ' 88' ' ' PHE . 59.3 m-85 -95.58 175.96 6.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.926 -0.579 . . . . 72.129999999999995 109.724 177.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.778 ' HB2' ' H ' ' A' ' 16' ' ' HIS . 3.7 p-10 -95.38 -9.26 33.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.795 0.331 . . . . 61.149999999999999 110.69 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.03 64.27 2.72 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.799 -0.715 . . . . 45.219999999999999 112.248 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.598 ' HE2' ' H ' ' A' ' 85' ' ' PHE . 49.7 m-85 -135.1 141.46 46.03 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.046 0.451 . . . . 74.219999999999999 110.862 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ARG . . . . . 0.712 ' HA ' ' HB2' ' A' ' 18' ' ' HIS . 80.2 mtt85 -110.16 117.87 34.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.032 -0.531 . . . . 74.430000000000007 110.888 178.634 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.43 90.81 4.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.187 -0.672 . . . . 71.340000000000003 109.187 174.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.702 ' HB3' ' HB3' ' A' ' 60' ' ' GLU . 19.1 t-160 -86.03 97.83 10.5 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.866 -0.607 . . . . 54.409999999999997 109.833 -175.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.42 114.13 3.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.547 -0.752 . . . . 74.409999999999997 110.488 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.68 94.73 4.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.989 0.423 . . . . 61.439999999999998 110.7 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -94.48 107.84 19.8 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.13 -0.693 . . . . 74.319999999999993 109.13 171.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.06 -74.48 0.13 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.897 -0.592 . . . . 72.0 110.223 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 3.5 p-10 -128.05 124.0 22.92 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 116.316 -0.402 . . . . 72.409999999999997 110.128 177.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 3.0 Cg_exo . . . . . 0 C--O 1.249 1.062 0 C-N-CA 123.051 2.5 . . . . 73.519999999999996 112.006 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t0 . . . . . 0 C--O 1.235 0.292 0 CA-C-O 121.015 0.436 . . . . 74.33 110.827 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.618 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 70.5 m -153.88 141.74 20.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.648 -0.705 . . . . 64.15 109.989 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.498 HG23 ' HG ' ' A' ' 17' ' ' LEU . 20.0 m -93.8 162.19 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.438 -0.346 . . . . 62.11 110.63 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -103.68 76.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.927 0.394 . . . . 75.33 110.238 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.498 ' HG ' HG23 ' A' ' 15' ' ' VAL . 91.8 mt -71.56 117.43 13.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.111 -0.495 . . . . 71.5 110.757 -177.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -81.23 93.75 6.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 63.25 110.299 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.457 HD11 ' HE2' ' A' ' 33' ' ' PHE . 65.1 mt -84.35 110.46 18.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.727 -0.67 . . . . 44.44 110.487 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.1 p -114.46 117.44 31.0 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.173 0.511 . . . . 71.21 110.978 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -84.84 120.97 27.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.679 -0.691 . . . . 75.33 109.348 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.72 -14.04 28.43 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.318 0.858 . . . . 50.05 113.318 -172.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -70.61 -20.54 62.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.327 . . . . 75.13 110.355 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mp -113.12 152.22 29.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.932 -0.576 . . . . 71.44 109.932 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -66.71 -52.38 45.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.226 0.536 . . . . 72.22 110.342 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.0 t -135.46 100.48 4.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.01 -0.541 . . . . 75.24 110.166 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -102.56 91.08 4.06 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.984 -0.747 . . . . 73.13 108.984 176.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.9 p -82.04 85.73 6.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.202 0.525 . . . . 74.45 111.435 -175.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.48 85.19 2.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.078 -0.51 . . . . 43.24 110.754 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.491 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 13.7 p-10 -91.28 87.76 6.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.177 0.989 . . . . 75.51 109.695 175.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.75 134.55 33.57 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.881 -1.054 . . . . 72.13 110.928 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 32' ' ' ARG . 6.2 ptm180 -71.85 115.72 11.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.618 -0.719 . . . . 65.24 110.694 175.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.457 ' HE2' HD11 ' A' ' 19' ' ' ILE . 63.4 m-85 -124.68 136.05 53.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.562 -0.745 . . . . 71.25 109.884 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -65.39 121.98 77.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.265 -0.642 . . . . 63.02 109.265 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.618 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 57.0 Cg_endo -71.74 13.13 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.02 2.48 . . . . 70.11 113.646 -173.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -93.42 1.61 56.8 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.543 -0.539 . . . . 61.21 109.543 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.6 ttm -87.32 130.11 34.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.571 -0.74 . . . . 73.23 110.315 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.6 p -92.11 162.81 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.007 0.432 . . . . 61.54 111.065 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.464 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 47.6 t -66.29 -34.56 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.564 -0.532 . . . . 75.23 109.564 175.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.77 -43.29 85.41 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.408 -0.814 . . . . 73.24 111.131 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.26 -48.55 72.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.967 -0.561 . . . . 75.43 111.868 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.6 p -67.01 -29.01 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.618 -0.265 . . . . 62.2 111.362 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 39' ' ' VAL . 34.2 mmtp -65.42 -60.29 3.12 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.774 0.321 . . . . 51.14 111.044 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 40.0 mt-10 -67.71 -24.58 65.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.389 . . . . 74.21 111.887 -176.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -60.5 -43.81 96.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.895 0.378 . . . . 74.43 110.587 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.3 mt -82.47 -30.77 29.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.217 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.605 ' HB3' ' HA ' ' A' ' 44' ' ' GLU . 59.2 t90 -60.12 -49.63 76.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.656 -0.702 . . . . 63.24 111.088 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 22.1 ptmt -69.35 -25.39 64.17 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.076 0.465 . . . . 60.35 110.914 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -81.03 -50.58 9.49 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.925 -0.579 . . . . 61.3 111.225 -174.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.4 m -93.23 -32.86 14.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.548 -0.296 . . . . 73.43 111.642 -176.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.15 53.64 8.93 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.65 -0.786 . . . . 61.44 112.073 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -146.01 159.37 43.35 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.398 -0.223 . . . . 61.13 110.398 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.0 p -89.61 119.06 29.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.198 0.523 . . . . 71.42 110.73 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.0 m -89.89 42.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.361 0.6 . . . . 74.14 111.171 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -82.28 -35.06 28.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.946 -0.57 . . . . 72.25 111.157 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -83.49 5.07 25.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.015 0.436 . . . . 72.22 111.611 -177.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 42.7 ttm -118.27 94.34 4.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.031 -0.532 . . . . 61.21 109.66 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.578 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -91.72 154.65 18.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.125 -0.488 . . . . 72.41 111.167 -175.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.65 96.63 5.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.144 -0.48 . . . . 72.44 110.761 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . 13.3 mm-40 -82.58 91.41 6.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.957 -0.565 . . . . 73.51 109.947 176.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.573 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 56.8 tp -82.34 101.64 10.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.346 -0.843 . . . . 54.35 110.307 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 60' ' ' GLU . 49.1 m-85 -98.52 159.35 15.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.077 0.465 . . . . 73.5 111.081 -178.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -104.24 -164.57 1.07 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.619 -0.718 . . . . 44.01 109.435 175.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -79.04 -27.48 43.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.723 0.297 . . . . 64.45 110.722 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.9 t -71.14 -45.66 63.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.992 0.425 . . . . 74.13 110.065 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.23 33.46 0.72 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.453 -0.88 . . . . 72.32 112.299 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 m -124.51 157.92 34.16 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.826 -0.435 . . . . 70.43 109.826 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -85.17 111.15 19.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.448 0.642 . . . . 65.54 110.065 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.2 m -86.43 -6.11 10.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.668 -0.696 . . . . 55.42 111.001 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.573 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -70.27 110.38 5.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.035 -0.53 . . . . 74.42 109.79 174.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.511 HG13 ' H ' ' A' ' 73' ' ' SER . 12.3 p -111.26 0.66 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.496 0.665 . . . . 65.21 109.926 -176.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 73.01 -4.34 2.2 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.141 -0.936 . . . . 54.42 111.531 176.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.511 ' H ' HG13 ' A' ' 71' ' ' VAL . 16.0 m -85.68 -18.03 34.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.62 -0.882 . . . . 75.51 108.62 171.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -76.61 -3.8 39.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.254 -1.339 . . . . 64.53 110.897 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -60.62 -25.95 66.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.674 -0.694 . . . . 63.15 111.208 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.8 p -129.64 22.71 5.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 74.23 111.162 -174.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -122.97 135.9 26.32 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.379 -0.373 . . . . 74.32 110.311 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.477 ' HG2' ' HB3' ' A' ' 81' ' ' PHE . 15.2 Cg_endo -59.66 116.66 3.45 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.344 2.029 . . . . 62.44 111.398 174.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.9 mt -55.2 -40.25 70.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.055 -0.52 . . . . 72.31 111.558 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.486 ' H ' ' HB2' ' A' ' 35' ' ' PRO . . . -78.09 0.59 72.74 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.029 -0.605 . . . . 73.31 112.866 -176.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.477 ' HB3' ' HG2' ' A' ' 78' ' ' PRO . 69.9 t80 -108.4 -15.51 14.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.152 0.501 . . . . 72.22 109.754 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -92.68 -54.78 3.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.879 -0.601 . . . . 73.43 111.06 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.469 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 46.7 m -136.15 131.38 18.71 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.778 0.323 . . . . 71.43 111.446 -177.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 83' ' ' SER . 4.2 Cg_exo -80.53 95.04 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.205 2.603 . . . . 35.45 112.349 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -137.78 137.38 38.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.968 -0.56 . . . . 74.02 109.871 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -62.77 -39.61 94.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.106 0.479 . . . . 70.1 110.858 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -162.4 129.5 2.08 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.746 -0.74 . . . . 54.3 112.025 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.533 ' HB3' HD11 ' A' ' 61' ' ' LEU . 97.3 m-85 -87.46 161.61 17.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.754 0.311 . . . . 71.01 110.613 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 -94.37 101.82 13.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.085 -0.507 . . . . 74.02 110.819 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 66.2 mt -97.19 96.52 8.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.36 -0.382 . . . . 70.41 110.394 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -98.4 101.35 12.77 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.983 -0.747 . . . . 61.22 108.983 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.8 mt -73.33 111.53 8.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.694 -0.684 . . . . 71.43 111.085 -175.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.578 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 48.9 mm -82.31 82.63 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 108.927 -0.768 . . . . 61.31 108.927 175.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -89.05 94.55 9.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.709 -1.132 . . . . 70.14 109.846 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.514 ' HG ' HG22 ' A' ' 93' ' ' ILE . 78.8 mt -97.75 16.38 20.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.664 -0.698 . . . . 74.43 110.883 -176.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -115.53 83.58 11.13 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 121.181 0.515 . . . . 71.14 109.746 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 95' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.905 0 C-N-CA 123.138 2.559 . . . . 51.55 111.521 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 CA--C 1.524 -0.037 0 CA-C-O 120.994 0.426 . . . . 75.41 110.338 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.5 m -160.09 141.16 12.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.92 -0.582 . . . . 75.15 109.953 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.9 m -105.48 152.31 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.766 0.317 . . . . 75.32 110.303 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -91.87 93.58 8.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.222 -0.445 . . . . 52.34 110.237 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -74.74 104.92 5.58 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.593 -0.521 . . . . 72.54 109.593 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -72.38 101.43 2.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.062 -0.517 . . . . 74.21 110.212 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.0 mt -87.14 118.5 33.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.977 -0.556 . . . . 73.11 110.348 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.4 m -121.16 98.37 5.95 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.055 -0.521 . . . . 64.4 109.894 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -76.67 124.02 27.02 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.586 -0.524 . . . . 60.13 109.586 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.512 ' HB2' HD13 ' A' ' 93' ' ' ILE . . . -56.81 -37.43 71.18 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.04 0.385 . . . . 74.12 112.04 -176.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.608 ' ND2' ' HA ' ' A' ' 97' ' ' PRO . 3.2 m-20 -59.9 -33.5 71.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 54.11 110.899 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.4 mt -127.26 86.1 2.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.298 -0.63 . . . . 50.44 109.298 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 13.9 ptpt -71.63 -2.03 15.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.216 -0.447 . . . . 63.33 111.979 -173.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 t -98.96 4.73 47.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.966 0.412 . . . . 63.31 110.013 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -78.9 107.58 11.74 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.475 -0.565 . . . . 72.14 109.475 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 p -118.65 23.77 11.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.829 -0.623 . . . . 64.22 111.193 -175.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.47 113.92 21.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.154 0.502 . . . . 53.03 111.278 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -90.51 150.5 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.836 -0.62 . . . . 74.2 109.929 176.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.61 139.99 52.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.075 0.464 . . . . 63.11 111.517 -176.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -81.18 112.77 18.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.619 -0.719 . . . . 74.2 110.911 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -140.18 169.64 17.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.922 0.391 . . . . 73.24 110.781 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 45.8 p -105.23 123.68 38.91 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.642 -0.708 . . . . 65.41 110.094 178.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 17.5 Cg_exo -66.73 -8.38 21.08 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.055 2.504 . . . . 60.3 112.318 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -77.67 3.55 13.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 74.31 111.138 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.8 ttm -91.14 146.58 23.72 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.776 -0.453 . . . . 64.34 109.776 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 p -95.36 151.72 19.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.121 0.486 . . . . 45.51 111.001 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 1.011 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 18.4 t -78.3 -8.28 11.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.83 0.824 . . . . 74.21 109.76 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 76' ' ' SER . 27.6 tt0 -66.03 -42.53 89.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.575 -0.739 . . . . 62.43 110.321 176.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.82 -31.16 45.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.881 -0.6 . . . . 72.32 112.112 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.21 -25.89 36.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 111.483 0.179 . . . . 55.25 111.483 -174.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -63.09 -51.74 65.4 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.799 0.333 . . . . 71.24 110.386 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 36.6 tt0 -68.54 -30.63 69.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.489 . . . . 74.43 110.101 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.99 -41.7 88.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.895 -0.593 . . . . 72.54 110.877 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.2 mt -81.64 -24.95 36.04 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.994 0.426 . . . . 73.23 110.597 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -69.53 -54.44 14.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.83 -0.623 . . . . 64.32 110.789 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 56.4 pttt -81.98 -6.85 59.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.942 0.401 . . . . 70.3 111.361 -176.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -80.49 -43.07 21.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.064 0.459 . . . . 74.22 110.306 176.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.7 t -160.29 -37.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.83 -0.623 . . . . 71.34 110.249 -176.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.19 50.03 0.84 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.738 -0.744 . . . . 35.41 112.208 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 53' ' ' SER . 18.3 m -67.94 -22.32 65.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 75.31 111.098 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 52' ' ' THR . 35.8 t 72.68 160.21 0.23 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.793 -0.639 . . . . 73.24 111.168 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -106.15 -1.22 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.876 -0.602 . . . . 71.31 110.747 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -99.47 -28.64 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 72.22 110.641 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -86.8 10.81 14.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.212 0.529 . . . . 71.12 110.259 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.8 ttp -147.07 132.43 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.84 -0.618 . . . . 74.35 110.208 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.624 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -117.12 141.77 47.85 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.774 -0.454 . . . . 75.12 109.774 175.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.4 mt -105.93 95.53 5.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.318 -0.401 . . . . 73.41 110.868 -174.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.782 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 24.3 mm-40 -79.6 88.11 5.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 61.14 110.252 176.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.464 ' H ' ' HB2' ' A' ' 70' ' ' ALA . 56.1 tp -79.62 104.16 10.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.65 -0.705 . . . . 64.11 110.221 178.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 60' ' ' GLU . 23.3 m-85 -105.01 139.66 39.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.008 -0.542 . . . . 54.33 111.127 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.412 ' HA ' ' CD1' ' A' ' 88' ' ' PHE . 15.8 t70 -74.47 88.82 2.12 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.916 -0.772 . . . . 61.11 108.916 176.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.9 t70 57.97 31.01 20.05 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.249 -0.887 . . . . 75.32 110.445 -177.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.611 ' OG ' ' HD2' ' A' ' 89' ' ' ARG . 74.1 m 69.54 0.95 3.14 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.25 -0.886 . . . . 73.33 112.907 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.92 -67.54 1.3 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.365 -0.921 . . . . 44.44 111.673 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.1 m -96.9 171.4 8.53 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.828 -0.434 . . . . 50.34 109.828 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -115.61 126.23 53.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.118 0.485 . . . . 73.21 110.412 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.3 m -125.45 17.66 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 74.01 111.114 -173.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.464 ' HB2' ' H ' ' A' ' 61' ' ' LEU . . . -79.08 91.29 4.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.109 -0.496 . . . . 53.52 111.068 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -102.03 -40.74 7.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.411 -0.359 . . . . 75.41 110.918 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 54.86 67.84 0.95 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.273 0.558 . . . . 72.13 111.194 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.7 t -134.34 6.01 3.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.159 0.981 . . . . 72.21 108.492 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -146.3 19.35 1.38 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.233 -1.349 . . . . 63.5 109.492 -172.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 1.011 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 7.7 p-10 -69.19 -17.31 63.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.323 -0.853 . . . . 73.55 111.141 -174.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 16.8 m -79.49 2.83 20.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.131 -0.486 . . . . 72.12 110.714 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.8 mmm180 -117.93 157.1 49.26 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 54.24 109.801 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.447 ' HB2' ' HB2' ' A' ' 81' ' ' PHE . 9.6 Cg_exo -72.63 118.05 5.41 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.471 2.114 . . . . 73.51 111.326 174.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.94 -37.47 79.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.878 0.371 . . . . 61.13 111.135 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.02 -3.65 88.31 Favored Glycine 0 CA--C 1.518 0.28 0 CA-C-N 116.115 -0.493 . . . . 51.13 113.058 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.447 ' HB2' ' HB2' ' A' ' 78' ' ' PRO . 85.5 t80 -76.96 -43.65 34.27 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.549 -0.537 . . . . 72.14 109.549 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -89.21 -54.74 3.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.615 -0.72 . . . . 75.11 109.618 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.9 t 57.82 88.18 0.13 Allowed Pre-proline 0 C--O 1.234 0.281 0 CA-C-N 115.238 -0.892 . . . . 74.11 111.913 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.46 -47.99 2.68 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.155 1.903 . . . . 73.3 110.061 171.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -144.01 -53.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.945 -1.025 . . . . 75.2 109.003 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.1 t70 69.5 159.3 0.18 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.213 -0.903 . . . . 63.44 111.495 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.65 38.88 8.51 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 110.875 -0.89 . . . . 35.42 110.875 -173.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 63' ' ' ASP . 57.8 m-85 -83.5 -178.44 7.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.263 0.554 . . . . 74.24 111.259 -175.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.611 ' HD2' ' OG ' ' A' ' 65' ' ' SER . 71.5 mtt180 -122.32 138.62 54.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.042 -0.725 . . . . 74.04 109.042 177.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.72 108.75 20.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.787 0.327 . . . . 75.43 111.569 -172.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.782 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 9.9 t-80 -88.2 96.26 10.48 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.827 -0.805 . . . . 71.41 108.827 174.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.7 mm -79.9 113.67 19.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.945 -0.57 . . . . 74.43 110.816 -173.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.624 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 38.4 mm -94.39 120.3 43.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.674 -0.693 . . . . 71.24 110.222 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -99.11 149.99 22.48 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.765 -0.828 . . . . 74.03 108.765 175.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 tp -76.08 -23.34 54.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.821 0.343 . . . . 74.0 110.841 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 35.0 t70 -127.83 117.56 20.89 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 120.71 0.291 . . . . 54.14 110.77 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.608 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 4.3 Cg_exo . . . . . 0 C--O 1.246 0.904 0 C-N-CA 123.184 2.589 . . . . 54.21 112.13 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 110.407 -0.22 . . . . 53.44 110.407 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.6 p 62.13 165.81 0.1 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.318 1.047 . . . . 73.02 112.757 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 27.8 m -125.15 144.0 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.888 -0.597 . . . . 63.02 110.683 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -92.76 110.39 21.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.093 -0.503 . . . . 72.32 111.196 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.6 mt -108.59 139.17 43.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.776 -0.647 . . . . 64.34 109.671 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -93.24 98.56 11.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.527 -0.306 . . . . 75.44 110.238 -176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.1 mt -81.37 132.75 30.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.338 -0.392 . . . . 70.44 110.869 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.699 ' HA ' ' HD2' ' A' ' 27' ' ' PHE . 17.3 m -139.86 127.82 22.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.345 -0.389 . . . . 54.53 110.216 176.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.47 149.28 25.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.173 -0.677 . . . . 60.0 109.173 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.404 ' HB3' ' HB2' ' A' ' 94' ' ' ASP . . . -61.31 -45.75 93.15 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.682 0.623 . . . . 61.45 112.682 -172.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -82.02 -11.32 58.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.239 0.542 . . . . 73.04 110.907 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.7 mt -93.49 113.73 25.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.054 0.454 . . . . 70.44 110.789 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -72.17 -53.79 11.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.811 -0.632 . . . . 72.15 110.127 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -98.25 96.05 7.81 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.764 -0.458 . . . . 75.14 109.764 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.699 ' HD2' ' HA ' ' A' ' 20' ' ' THR . 27.9 t80 -152.74 110.86 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.939 -0.573 . . . . 74.22 109.81 176.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -143.06 60.91 1.41 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.824 -0.625 . . . . 54.25 109.523 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.12 118.99 11.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.737 -0.665 . . . . 21.42 111.435 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -75.18 97.51 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.989 -0.551 . . . . 74.31 109.998 175.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.86 143.85 48.69 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.164 -0.471 . . . . 75.45 110.636 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 19.0 ptt180 -113.1 111.75 22.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.419 0.628 . . . . 55.33 110.406 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -105.1 165.03 11.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.582 -0.735 . . . . 73.21 109.922 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.1 p -87.44 146.36 39.5 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 110.117 -0.327 . . . . 72.42 110.117 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.57 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 42.0 Cg_endo -68.56 3.54 2.17 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.075 2.517 . . . . 51.42 112.803 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -97.91 4.33 49.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.288 -0.415 . . . . 63.32 110.643 -177.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 60.3 ttp -82.71 111.77 18.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.308 -177.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.3 m -93.71 142.33 27.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.668 -0.696 . . . . 65.35 109.136 172.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.655 ' HB ' ' HA ' ' A' ' 75' ' ' ASP . 41.7 t -64.54 -33.91 66.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 112.041 0.385 . . . . 64.02 112.041 -173.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.547 ' HB2' ' HB2' ' A' ' 75' ' ' ASP . 37.1 tt0 -68.37 -33.58 74.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.131 0.491 . . . . 60.42 109.735 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.39 -39.14 74.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 74.42 110.96 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.604 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.5 p -75.45 -30.27 22.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.606 -0.438 . . . . 55.34 110.703 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.875 ' HD3' ' HB ' ' A' ' 54' ' ' VAL . 87.6 mttt -63.74 -35.9 82.09 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.737 0.303 . . . . 75.14 110.539 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.58 -41.23 80.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.007 -0.542 . . . . 53.14 109.874 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -88.73 8.65 27.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.918 -0.583 . . . . 74.54 111.389 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 42' ' ' VAL . 89.3 mt -98.05 -42.57 7.43 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.048 -0.723 . . . . 53.2 109.048 170.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -64.88 -38.49 91.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.315 -0.857 . . . . 74.21 109.85 175.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -79.27 -4.51 51.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.942 -0.572 . . . . 74.55 111.892 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -107.58 -59.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.971 0.415 . . . . 74.41 111.321 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 60.8 m -97.99 -23.42 15.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.296 -0.411 . . . . 71.21 111.207 -175.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.48 67.97 1.6 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.548 -0.834 . . . . 52.24 111.411 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.6 m -146.32 135.56 22.78 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.863 -0.421 . . . . 64.54 109.863 -177.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 m -56.4 127.88 33.21 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.453 0.471 . . . . 63.2 109.914 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.875 ' HB ' ' HD3' ' A' ' 43' ' ' LYS . 26.9 m -70.8 3.68 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.091 -0.504 . . . . 73.52 112.012 -172.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -93.95 -32.05 14.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.074 -0.512 . . . . 75.22 110.778 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.2 m -75.94 -37.76 58.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 54.44 111.774 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.0 ttp -98.91 103.54 15.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.099 0.476 . . . . 55.24 110.634 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.425 ' H ' ' HB ' ' A' ' 93' ' ' ILE . . . -105.44 -174.84 2.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.716 -0.675 . . . . 64.21 110.464 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.8 mt -130.79 125.68 34.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 74.22 111.194 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.901 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 9.0 mm-40 -87.33 97.18 10.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.796 -0.638 . . . . 74.12 110.027 172.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.674 ' HG ' HG23 ' A' ' 69' ' ' VAL . 43.1 tp -83.94 104.66 14.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.038 -0.528 . . . . 52.12 110.13 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.583 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 27.4 m-85 -101.12 141.17 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.02 -0.536 . . . . 72.31 111.126 -179.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -117.19 -178.56 3.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 75.31 109.768 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -97.73 -20.0 17.87 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.015 0.376 . . . . 73.43 112.015 -176.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -84.86 -48.55 9.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.125 0.488 . . . . 53.42 110.177 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.93 -110.94 3.33 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.935 -0.65 . . . . 62.34 111.776 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.55 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 67.2 m -152.67 -70.82 0.15 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.358 -0.238 . . . . 75.32 110.358 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -106.22 114.31 28.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.329 -0.248 . . . . 54.44 110.329 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.674 HG23 ' HG ' ' A' ' 61' ' ' LEU . 2.7 m -108.8 28.8 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.968 0.413 . . . . 75.05 110.553 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.7 89.42 2.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.846 -0.615 . . . . 72.42 110.874 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.562 HG21 ' HZ ' ' A' ' 82' ' ' PHE . 62.9 t -68.01 -38.79 80.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.842 -0.617 . . . . 60.25 109.909 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 tp 70.77 19.23 5.99 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 115.162 -0.926 . . . . 63.1 111.129 172.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 t -109.49 -2.93 17.34 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.837 -1.171 . . . . 73.41 107.837 171.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.67 6.15 7.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 113.786 -1.552 . . . . 72.25 111.904 -177.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.655 ' HA ' ' HB ' ' A' ' 39' ' ' VAL . 1.8 p30 -71.11 -41.5 70.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.55 -0.295 . . . . 72.43 111.287 178.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.8 m -97.94 -8.78 27.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.812 0.339 . . . . 63.21 111.21 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.459 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 7.2 mmm180 -111.45 124.63 32.15 Favored Pre-proline 0 C--N 1.324 -0.538 0 C-N-CA 120.719 -0.392 . . . . 61.24 110.146 -175.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 77' ' ' ARG . 10.5 Cg_endo -54.53 122.06 10.89 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 122.51 2.14 . . . . 74.13 111.003 174.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.27 -22.94 54.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 75.53 111.762 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.57 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -67.99 -37.92 88.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 73.41 112.365 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -77.18 -21.45 53.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.294 0.569 . . . . 73.43 109.68 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.562 ' HZ ' HG21 ' A' ' 71' ' ' VAL . 49.9 t80 -84.7 1.11 47.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.405 -0.816 . . . . 72.15 110.146 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.6 t 70.45 90.52 0.08 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 115.363 -0.835 . . . . 53.45 110.823 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -86.98 157.38 8.6 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.876 2.384 . . . . 61.31 112.658 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -126.23 146.08 50.13 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.047 -0.524 . . . . 72.13 109.861 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -77.54 0.04 24.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.998 0.428 . . . . 61.15 110.766 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.1 4.24 60.63 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.03 -0.605 . . . . 45.22 111.921 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -71.22 124.44 24.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.185 0.517 . . . . 74.22 110.958 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.583 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 80.3 mtt85 -107.14 127.28 53.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.382 -0.826 . . . . 74.43 109.639 175.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.0 mt -103.52 94.84 5.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.162 -0.472 . . . . 71.34 110.303 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.901 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 8.5 t-80 -89.34 103.96 16.55 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.322 -0.621 . . . . 54.41 109.322 177.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.8 mt -65.43 126.5 24.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.795 -0.638 . . . . 74.41 110.552 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.53 HD11 ' HG2' ' A' ' 60' ' ' GLU . 31.3 mm -81.35 98.77 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.369 0.604 . . . . 61.44 110.656 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.404 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 24.6 m-20 -98.96 94.31 6.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.265 -0.88 . . . . 74.32 109.166 174.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 93.8 mt -82.73 -71.3 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.169 -0.468 . . . . 72.0 110.647 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 5.0 p-10 -153.42 146.14 17.51 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.924 -0.58 . . . . 72.41 110.424 -178.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 5.6 Cg_exo . . . . . 0 C--O 1.244 0.818 0 C-N-CA 123.155 2.57 . . . . 73.52 111.89 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.522 -0.125 0 CA-C-O 121.536 0.684 . . . . 53.44 110.371 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.9 p -161.02 145.65 13.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.529 -0.759 . . . . 73.02 109.776 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 m -105.94 126.22 61.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.888 0.375 . . . . 63.02 110.914 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.606 ' HB2' ' HB2' ' A' ' 86' ' ' ASP . 74.1 m80 -88.52 80.76 7.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.046 0.45 . . . . 72.32 109.891 175.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.6 mt -71.52 121.51 18.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.772 -0.649 . . . . 64.34 110.425 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -85.11 89.32 7.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.861 0.362 . . . . 75.44 110.362 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.5 mt -71.23 121.81 21.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 70.44 109.866 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.9 m -136.43 149.05 48.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.352 -0.385 . . . . 54.53 109.974 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -99.34 177.58 5.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.743 0.306 . . . . 60.0 110.358 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 94' ' ' ASP . . . -89.72 -37.74 14.35 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.414 -0.587 . . . . 61.45 109.414 173.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -72.77 -31.5 64.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.157 -0.928 . . . . 73.04 110.427 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.8 mt -113.64 111.25 21.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 70.44 110.203 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -78.98 -36.08 41.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 72.15 110.628 -175.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 t -109.65 89.88 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.987 0.422 . . . . 75.14 109.958 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -112.99 112.05 23.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.2 -0.454 . . . . 74.22 109.977 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.5 m -75.32 97.37 3.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.534 . . . . 54.25 110.703 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.37 30.23 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.126 -0.488 . . . . 21.42 111.252 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -78.2 76.42 4.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.872 0.844 . . . . 74.31 110.724 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.574 ' O ' ' HA ' ' A' ' 16' ' ' HIS . . . -96.71 159.7 14.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.333 -0.849 . . . . 75.45 110.658 -178.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -92.12 112.44 24.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.186 0.517 . . . . 55.33 110.203 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -108.38 160.33 15.95 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.768 -0.651 . . . . 73.21 110.77 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.443 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 41.3 m -71.53 139.71 84.02 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 115.581 -0.736 . . . . 72.42 110.4 177.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 36.1 Cg_exo -61.48 -28.15 83.18 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 122.793 2.329 . . . . 51.42 112.711 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -90.48 15.61 10.43 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.284 0.476 . . . . 63.32 112.284 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 52.8 ttp -85.78 90.61 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.918 -0.771 . . . . 74.13 108.918 173.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.0 p -85.01 170.25 13.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.0 -0.545 . . . . 65.35 111.466 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.744 ' HA ' HG12 ' A' ' 42' ' ' VAL . 55.4 t -68.6 -33.53 60.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 64.02 109.396 175.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.766 ' HB2' ' HA ' ' A' ' 76' ' ' SER . 38.9 tt0 -54.77 -40.97 69.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.677 -0.692 . . . . 60.42 110.442 175.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.65 -44.22 43.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.887 -0.597 . . . . 74.42 111.122 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.744 HG12 ' HA ' ' A' ' 39' ' ' VAL . 4.7 p -69.97 -25.98 29.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.394 -0.367 . . . . 55.34 111.55 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -59.46 -39.12 82.62 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.479 0.18 . . . . 75.14 110.813 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -67.12 -41.18 86.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.497 0.665 . . . . 53.14 110.116 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -71.75 -45.47 61.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.356 -0.838 . . . . 74.54 111.248 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.5 ' HG ' HG22 ' A' ' 42' ' ' VAL . 95.0 mt -73.28 -23.7 60.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.358 -0.383 . . . . 53.2 111.371 -178.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -58.48 -52.46 65.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.408 -0.36 . . . . 74.21 110.825 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -69.63 -25.95 64.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.342 -0.39 . . . . 74.55 111.409 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.491 ' NZ ' ' HA ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -67.61 -37.88 83.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 74.41 110.564 178.24 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.2 m -90.24 -36.86 14.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.056 -0.52 . . . . 71.21 111.228 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.94 14.81 81.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 52.24 111.541 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.1 m -153.13 166.28 32.98 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.636 -0.876 . . . . 64.54 108.636 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -60.45 135.84 57.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.894 0.378 . . . . 63.2 110.319 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.8 m -86.24 24.93 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.23 -0.441 . . . . 73.52 111.403 -174.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -64.62 -41.52 96.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.849 -0.614 . . . . 75.22 111.537 -176.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.2 m -73.57 -20.01 60.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.977 0.418 . . . . 54.44 111.851 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.0 ttp -90.71 91.23 8.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.029 0.442 . . . . 55.24 110.613 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.56 145.08 27.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.989 -0.55 . . . . 64.21 111.22 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.5 mt -103.52 108.71 20.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 74.22 110.778 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.721 ' HG3' HD11 ' A' ' 93' ' ' ILE . 3.2 mm-40 -80.37 108.98 14.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.278 175.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.543 ' HG ' HG23 ' A' ' 69' ' ' VAL . 36.4 tp -91.96 100.4 13.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.099 -0.501 . . . . 52.12 110.291 -178.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -98.98 152.37 19.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.966 -0.561 . . . . 72.31 111.082 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -126.03 -173.04 2.75 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.58 -0.896 . . . . 75.31 108.58 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -113.74 -1.3 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.14 0.422 . . . . 73.43 112.14 -176.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 t -103.29 -44.98 5.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.09 0.471 . . . . 53.42 110.136 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -102.42 -105.31 2.9 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.761 -0.654 . . . . 62.34 111.494 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.0 m -158.79 -60.43 0.07 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.942 0.401 . . . . 75.32 109.943 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -126.49 120.06 28.75 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.082 -0.508 . . . . 54.44 110.154 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.543 HG23 ' HG ' ' A' ' 61' ' ' LEU . 11.9 m -112.09 23.13 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.086 0.469 . . . . 75.05 110.77 178.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.56 94.17 2.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.907 -0.588 . . . . 72.42 111.017 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.11 -51.75 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.928 -0.578 . . . . 60.25 110.279 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 25.5 tp 65.52 27.3 11.65 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.65 -0.704 . . . . 63.1 111.066 174.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.4 t -121.2 -3.71 9.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.229 1.014 . . . . 73.41 108.564 174.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -101.43 5.4 42.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.047 -1.433 . . . . 72.25 110.442 -177.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -60.51 -43.92 96.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.644 -0.707 . . . . 72.43 112.183 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.766 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 54.7 m -93.63 6.93 46.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.155 0.502 . . . . 63.21 111.012 -175.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -107.35 150.85 40.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.078 -0.712 . . . . 61.24 109.078 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.402 ' HG2' ' HB2' ' A' ' 81' ' ' PHE . 9.2 Cg_endo -55.71 124.21 15.73 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.879 1.72 . . . . 74.13 110.605 172.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.881 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 27.8 tp -58.16 -38.13 76.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.991 0.424 . . . . 75.53 111.498 -173.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.16 -12.65 69.1 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.423 -0.418 . . . . 73.41 112.644 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.402 ' HB2' ' HG2' ' A' ' 78' ' ' PRO . 61.3 t80 -84.24 -27.3 28.04 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.238 -0.653 . . . . 73.43 109.238 177.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -82.96 -32.31 27.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.238 -0.892 . . . . 72.15 109.354 173.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.8 t 72.43 87.27 0.1 Allowed Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 115.055 -0.975 . . . . 53.45 110.992 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.881 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 60.8 Cg_endo -96.0 -166.84 0.12 Allowed 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.392 2.728 . . . . 61.31 112.008 176.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -137.09 157.31 46.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.401 -0.363 . . . . 72.13 110.146 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.606 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . 7.8 p-10 -80.84 4.0 20.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.187 -0.46 . . . . 61.15 110.998 -178.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.31 -6.02 69.17 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.583 -0.818 . . . . 45.22 112.316 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.526 ' HB3' HD11 ' A' ' 61' ' ' LEU . 47.7 m-85 -87.4 153.81 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.025 0.441 . . . . 74.22 110.752 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 89' ' ' ARG . 57.4 mtt85 -122.66 132.56 54.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.963 -0.562 . . . . 74.43 110.918 -176.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.1 mt -95.02 96.25 9.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.989 -0.551 . . . . 71.34 109.659 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -90.73 97.06 10.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.047 -0.524 . . . . 54.41 110.474 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.65 124.07 19.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.854 -0.612 . . . . 74.41 110.193 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.721 HD11 ' HG3' ' A' ' 60' ' ' GLU . 46.4 mm -80.09 116.93 25.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.029 0.442 . . . . 61.44 110.972 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.402 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 13.0 m-20 -88.94 110.88 21.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.815 -0.629 . . . . 74.32 109.781 176.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.63 ' HG ' HG22 ' A' ' 93' ' ' ILE . 96.9 mt -120.08 -80.11 0.61 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.919 0.39 . . . . 72.0 110.546 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 9.1 p-10 -155.41 120.2 2.52 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.104 -0.498 . . . . 72.41 110.548 -178.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 11.2 Cg_endo . . . . . 0 C--O 1.248 1.013 0 C-N-CA 123.436 2.757 . . . . 73.52 111.632 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.282 0.563 . . . . 53.44 110.812 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.602 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 14.7 p -137.6 119.52 15.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.064 -0.516 . . . . 73.02 111.677 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -83.67 123.09 38.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.562 -0.903 . . . . 63.02 108.562 169.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -89.46 94.94 10.07 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.082 0.468 . . . . 72.32 110.511 -172.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.496 HD13 HD11 ' A' ' 90' ' ' LEU . 88.9 mt -101.97 123.57 46.1 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.675 -0.693 . . . . 64.34 110.359 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -98.38 107.41 19.86 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.136 -0.69 . . . . 75.44 109.136 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.4 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 61.8 mt -81.15 133.91 28.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.543 -0.299 . . . . 70.44 110.66 -175.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.5 m -142.88 142.42 31.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.316 -0.402 . . . . 54.53 110.446 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.95 168.48 10.94 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.507 -0.553 . . . . 60.0 109.507 -178.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB2' ' H ' ' A' ' 94' ' ' ASP . . . -73.97 -57.04 4.23 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.879 -0.329 . . . . 61.45 111.232 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -71.74 -45.01 63.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.228 0.537 . . . . 73.04 110.313 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.3 mt -80.28 81.77 6.46 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.242 -0.651 . . . . 70.44 109.242 172.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -74.84 -29.6 61.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.731 -0.668 . . . . 72.15 110.442 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 t -97.95 60.76 1.5 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.915 -0.772 . . . . 75.14 108.915 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -106.07 94.42 5.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.543 -0.753 . . . . 74.22 109.668 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -82.73 82.05 8.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.006 -0.543 . . . . 54.25 110.802 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.4 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -113.17 97.65 6.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.093 -0.503 . . . . 21.42 109.818 175.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -101.63 125.05 48.22 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.359 -0.382 . . . . 74.31 110.526 -175.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.71 168.49 19.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.147 0.499 . . . . 75.45 111.558 -176.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.602 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 30.2 ptt180 -133.52 130.72 38.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.631 -0.713 . . . . 55.33 109.828 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.67 -170.6 2.29 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.479 -0.328 . . . . 73.21 110.386 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.448 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 9.5 p -103.19 148.5 35.75 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.335 -0.393 . . . . 72.42 110.571 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 13.4 Cg_exo -70.76 2.39 4.14 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.026 2.484 . . . . 51.42 112.641 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -85.45 -13.53 48.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.943 -0.571 . . . . 63.32 110.362 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 57.5 ttp -90.9 115.56 28.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 74.13 110.504 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.8 p -96.16 175.13 6.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.096 -0.502 . . . . 65.35 110.389 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.468 HG12 ' HE3' ' A' ' 43' ' ' LYS . 48.0 t -66.07 -39.09 83.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.972 0.415 . . . . 64.02 110.107 178.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.18 -33.04 73.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.255 0.55 . . . . 60.42 110.497 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.33 -46.96 75.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.817 -0.629 . . . . 74.42 111.173 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 p -71.79 -30.86 39.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 120.759 -0.376 . . . . 55.34 110.341 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HE3' HG12 ' A' ' 39' ' ' VAL . 96.3 mttt -57.35 -46.39 83.36 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.934 0.397 . . . . 75.14 110.589 176.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -59.38 -41.33 89.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.577 -0.738 . . . . 53.14 111.04 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -73.93 -35.66 64.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.37 -0.377 . . . . 74.54 110.909 -175.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.56 -35.34 78.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.356 0.598 . . . . 53.2 109.891 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.536 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 34.2 t90 -68.14 -17.34 64.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.122 -0.944 . . . . 74.21 110.679 176.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -97.91 -37.36 9.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.478 -0.328 . . . . 74.55 111.053 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -63.34 -52.9 59.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.073 -0.512 . . . . 74.41 111.325 -177.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.5 m -124.83 -3.35 7.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.611 -0.268 . . . . 71.21 111.499 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' A' ' 47' ' ' TRP . . . 70.97 29.03 69.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.543 -0.837 . . . . 52.24 111.283 -175.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 m -74.6 112.26 10.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.737 0.303 . . . . 64.54 110.982 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.0 m -64.23 119.75 10.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.558 -0.534 . . . . 63.2 109.558 174.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.25 -6.16 6.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.197 -0.456 . . . . 73.52 112.075 -174.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -68.05 -35.54 78.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.261 0.553 . . . . 75.22 110.079 174.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 3.6 p -101.65 21.69 14.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.661 -0.7 . . . . 54.44 111.204 -177.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.441 ' HB3' ' HE2' ' A' ' 57' ' ' MET . 48.2 ttp -145.88 100.29 3.38 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.105 0.479 . . . . 55.24 110.174 178.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.47 145.07 26.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.951 -0.568 . . . . 64.21 110.766 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.9 mt -109.01 103.47 12.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.155 0.502 . . . . 74.22 110.091 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.1 97.69 10.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.759 -0.655 . . . . 74.12 110.564 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.619 ' HG ' HG23 ' A' ' 69' ' ' VAL . 34.0 tp -84.79 97.36 9.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.781 -0.645 . . . . 52.12 109.528 178.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -94.5 159.03 15.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.746 -0.661 . . . . 72.31 110.529 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -118.11 -168.89 1.59 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.159 -1.052 . . . . 75.31 108.159 168.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -103.76 -21.59 13.66 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.629 -0.429 . . . . 73.43 111.95 -175.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.5 t -100.95 -41.79 6.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.838 0.352 . . . . 53.42 111.22 -171.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.76 -105.76 2.8 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.64 -0.79 . . . . 62.34 112.237 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -157.63 -68.79 0.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.991 0.424 . . . . 75.32 110.517 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -117.19 124.18 48.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 54.44 111.047 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.619 HG23 ' HG ' ' A' ' 61' ' ' LEU . 12.1 m -111.91 6.91 8.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.351 0.596 . . . . 75.05 110.11 173.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.585 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -81.51 97.46 7.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.512 -0.767 . . . . 72.42 110.448 176.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.518 ' HB ' ' OD2' ' A' ' 74' ' ' ASP . 47.4 t -82.19 -41.58 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.571 -0.286 . . . . 60.25 110.646 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.8 mp 65.57 30.4 10.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.574 0.702 . . . . 63.1 111.281 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 t -116.4 11.2 14.88 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.462 -1.681 . . . . 73.41 106.462 166.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.518 ' OD2' ' HB ' ' A' ' 71' ' ' VAL . 1.2 p30 -135.35 -0.43 2.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 113.184 -1.825 . . . . 72.25 110.203 -173.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -61.06 -36.25 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 72.43 111.824 -173.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.39 14.92 20.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.152 0.501 . . . . 63.21 110.729 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.541 ' HB3' ' HD2' ' A' ' 78' ' ' PRO . 45.0 mmm-85 -106.09 165.13 13.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.229 -0.656 . . . . 61.24 109.229 178.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.541 ' HD2' ' HB3' ' A' ' 77' ' ' ARG . 20.6 Cg_endo -62.29 110.79 1.11 Allowed 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 121.993 1.795 . . . . 74.13 111.759 174.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.565 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 50.5 tp -61.97 -27.93 69.2 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.113 -0.494 . . . . 75.53 111.164 -177.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.78 -22.47 64.33 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.261 -0.495 . . . . 73.41 112.741 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -78.98 -22.36 45.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.105 0.478 . . . . 73.43 109.992 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -80.04 -25.69 40.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 72.15 110.882 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.5 t 65.38 85.46 0.16 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 115.683 -0.69 . . . . 53.45 109.827 -174.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.565 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 6.1 Cg_exo -74.52 156.03 45.2 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 123.259 2.639 . . . . 61.31 113.258 -175.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -100.63 -176.03 3.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.303 -0.862 . . . . 72.13 110.048 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -107.2 8.25 29.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.684 0.278 . . . . 61.15 111.303 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -113.1 25.58 11.29 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.535 -0.841 . . . . 45.22 112.948 -178.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.583 ' HB3' HD11 ' A' ' 61' ' ' LEU . 14.0 m-30 -80.83 125.35 29.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.982 0.42 . . . . 74.22 111.33 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -108.11 116.32 31.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.02 -0.536 . . . . 74.43 110.759 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.496 HD11 HD13 ' A' ' 17' ' ' LEU . 95.9 mt -88.15 86.66 7.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.21 -0.45 . . . . 71.34 109.978 177.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -91.8 97.88 11.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.862 0.363 . . . . 54.41 110.075 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.24 126.61 27.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.754 -0.657 . . . . 74.41 110.496 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.3 mm -88.06 91.17 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.287 -0.635 . . . . 61.44 109.287 175.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.466 ' H ' ' HB2' ' A' ' 22' ' ' ALA . 19.7 m-20 -71.68 103.59 3.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.146 -0.934 . . . . 74.32 111.396 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 56' ' ' SER . 90.9 mt -105.17 -161.98 0.85 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.893 -0.78 . . . . 72.0 108.893 173.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 8.8 p-10 -81.63 118.39 71.99 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.98 0.419 . . . . 72.41 110.695 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 12.2 Cg_endo . . . . . 0 N--CA 1.45 -1.05 0 C-N-CA 123.196 2.597 . . . . 73.52 111.562 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 . . . . . 0 N--CA 1.465 0.316 0 CA-C-O 120.96 0.409 . . . . 72.31 110.51 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.7 m -59.68 125.05 22.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.545 -0.752 . . . . 52.51 111.22 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.0 m -70.59 137.65 23.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.849 -0.614 . . . . 62.13 109.589 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -93.54 83.55 4.53 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.136 0.493 . . . . 45.11 110.155 -174.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.5 mt -96.6 106.07 18.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.825 -0.625 . . . . 75.21 110.008 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -79.78 126.12 30.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.178 -0.465 . . . . 71.21 110.941 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.532 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 76.7 mt -85.04 120.7 35.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.535 -0.757 . . . . 74.12 110.512 -178.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.525 ' HB ' ' HA ' ' A' ' 91' ' ' HIS . 5.1 m -96.72 92.71 6.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.838 -0.619 . . . . 72.52 109.375 177.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -81.41 129.16 34.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.699 -0.682 . . . . 73.43 110.227 -176.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.02 -56.64 4.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.046 0.387 . . . . 65.11 112.046 -174.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -61.55 -61.74 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 74.23 111.554 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mp -96.97 88.02 4.41 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.466 -0.568 . . . . 72.41 109.466 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -85.55 -6.23 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.949 -0.568 . . . . 72.13 111.746 -175.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 t -97.93 1.65 48.24 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.344 -0.613 . . . . 61.42 109.344 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -95.32 98.67 10.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.525 -0.761 . . . . 62.24 109.585 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.5 m -86.31 102.76 14.27 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.039 -0.528 . . . . 73.25 110.804 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -123.19 141.66 51.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.862 -0.608 . . . . 53.51 109.688 175.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -126.09 145.63 50.26 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.004 -0.369 . . . . 65.32 110.004 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.44 94.72 9.25 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.949 -0.569 . . . . 73.44 109.636 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -101.53 91.16 4.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.841 0.829 . . . . 73.14 110.456 -178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -130.89 150.62 51.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.518 -0.765 . . . . 71.21 109.911 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 36' ' ' GLN . 31.7 m -65.1 135.41 96.27 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.091 -0.504 . . . . 74.05 109.898 177.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.568 ' HB2' ' N ' ' A' ' 80' ' ' GLY . 63.4 Cg_endo -71.53 20.89 0.25 Allowed 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.144 2.563 . . . . 65.31 113.398 -174.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' A' ' 34' ' ' SER . 66.2 mt-30 -88.26 -11.61 46.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.383 0.611 . . . . 73.5 109.633 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.2 ttt -95.98 146.95 24.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.251 -0.886 . . . . 73.52 110.192 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.3 p -98.06 149.3 22.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.18 -0.463 . . . . 71.35 110.527 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 42' ' ' VAL . 11.1 p -64.36 -22.12 30.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.358 0.599 . . . . 73.4 110.227 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -57.46 -35.92 70.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.597 -0.729 . . . . 54.1 111.226 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.71 -17.29 48.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.397 0.517 . . . . 75.23 112.397 -173.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 39' ' ' VAL . 9.3 p -92.76 -29.2 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.739 -0.384 . . . . 75.34 111.455 -176.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -61.99 -52.42 64.07 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.795 0.331 . . . . 65.55 111.127 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.04 -36.94 75.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.146 0.498 . . . . 70.34 110.862 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.422 ' HB2' ' HE3' ' A' ' 45' ' ' LYS . 29.5 ttmt -66.87 -33.41 75.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.841 -0.618 . . . . 74.11 111.106 -176.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.4 mt -75.15 -42.18 56.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 64.42 110.326 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -58.35 -42.39 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.896 -0.593 . . . . 62.35 111.086 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.37 -8.62 59.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.458 -0.337 . . . . 75.33 111.546 -176.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -98.99 -54.97 2.84 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.028 -0.269 . . . . 75.55 111.309 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 60.8 m -83.77 -36.49 23.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.433 -0.349 . . . . 73.23 111.371 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.15 -5.62 59.34 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.565 -0.826 . . . . 40.43 112.664 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.4 t -87.72 162.67 16.93 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.786 -0.45 . . . . 65.02 109.786 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 m -91.81 122.66 34.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.734 0.302 . . . . 74.24 111.239 -174.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.11 -15.85 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.324 -0.398 . . . . 73.03 111.278 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -71.15 -16.83 62.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.244 0.545 . . . . 63.42 110.188 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.7 m -107.0 4.27 26.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 52.42 110.249 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.7 ttt -85.54 100.9 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.88 -0.6 . . . . 71.12 110.484 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.71 110.53 15.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 74.25 111.001 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.415 ' CD2' HG12 ' A' ' 92' ' ' ILE . 94.6 mt -109.87 110.43 21.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 65.22 110.189 177.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.808 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 44.2 mt-10 -93.01 104.56 16.76 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.808 0.337 . . . . 74.23 110.324 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.483 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 51.4 tp -85.31 94.09 8.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.974 -0.557 . . . . 74.41 109.754 178.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.596 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 16.9 m-85 -89.13 149.49 23.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.025 -0.534 . . . . 64.25 111.214 -178.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.446 ' HB3' HG13 ' A' ' 69' ' ' VAL . 4.5 p-10 -85.12 0.41 51.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.349 -0.841 . . . . 64.31 109.391 173.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 63' ' ' ASP . 26.0 t70 89.19 -24.75 0.09 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.959 1.304 . . . . 71.03 112.054 178.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.3 p -78.88 -28.6 44.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.288 -0.565 . . . . 62.34 109.84 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.26 -3.92 2.51 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.826 -0.702 . . . . 75.11 112.434 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.4 m -101.09 142.7 32.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.78 0.324 . . . . 55.14 110.551 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -86.79 126.97 34.97 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.713 -0.477 . . . . 74.5 109.713 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.446 HG13 ' HB3' ' A' ' 63' ' ' ASP . 31.0 m -102.88 19.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.738 0.78 . . . . 71.05 110.036 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.483 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -84.63 105.58 15.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.189 -0.914 . . . . 75.22 111.613 -177.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -111.08 -31.88 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.915 -0.584 . . . . 74.41 109.791 171.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 72' ' ' LEU . 4.3 mm? 55.37 81.37 0.12 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.174 -0.921 . . . . 55.3 113.129 174.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.7 t -127.69 7.13 6.22 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.08 -0.711 . . . . 52.41 109.08 170.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -114.36 26.23 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.368 -0.833 . . . . 61.35 110.571 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.404 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.4 t70 -54.46 -51.8 63.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 71.44 111.135 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.2 m -99.27 5.69 46.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.742 -0.663 . . . . 54.35 111.482 -175.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -100.08 150.5 36.94 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.592 -0.276 . . . . 62.41 110.536 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.53 125.55 13.51 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.477 2.118 . . . . 70.12 111.311 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.7 tp -61.49 -24.82 66.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.332 -0.394 . . . . 64.15 111.521 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.568 ' N ' ' HB2' ' A' ' 35' ' ' PRO . . . -65.0 -31.1 79.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.264 -0.493 . . . . 64.4 112.459 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -73.99 -40.33 63.03 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.753 -0.462 . . . . 74.22 109.753 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -65.04 -42.87 93.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.596 -0.729 . . . . 64.34 110.037 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.1 t 63.33 89.72 0.1 Allowed Pre-proline 0 C--O 1.233 0.197 0 CA-C-N 115.401 -0.818 . . . . 64.31 110.55 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -80.93 159.6 21.05 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.569 2.179 . . . . 74.45 112.849 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -57.93 -25.53 61.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.495 -0.775 . . . . 74.31 111.785 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.9 t70 68.35 88.06 0.11 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.31 0.576 . . . . 72.54 110.204 -176.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 142.03 60.77 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.709 -0.678 . . . . 73.23 111.424 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -122.12 153.57 38.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.27 -0.27 . . . . 73.41 110.27 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.596 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 40.4 mmt180 -97.06 108.99 21.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.298 -0.41 . . . . 63.04 110.349 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.532 ' HB2' ' HA ' ' A' ' 19' ' ' ILE . 98.7 mt -83.29 85.65 7.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.711 -0.477 . . . . 72.32 109.711 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.808 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 12.1 t-80 -81.65 99.42 8.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.015 0.436 . . . . 55.51 110.258 -177.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.415 HG12 ' CD2' ' A' ' 59' ' ' LEU . 57.9 mt -86.12 119.87 35.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.753 -0.658 . . . . 42.31 109.883 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.446 HG22 ' HB3' ' A' ' 95' ' ' LEU . 46.7 mm -82.0 112.6 20.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.185 -0.461 . . . . 64.54 110.22 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -79.56 72.11 6.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.198 0.523 . . . . 53.32 109.684 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.536 HD23 ' H ' ' A' ' 95' ' ' LEU . 2.4 pt? -97.29 9.09 43.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.955 -0.566 . . . . 64.03 110.494 -178.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 18.2 t70 -82.24 107.62 9.3 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.684 -0.689 . . . . 72.5 110.192 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 9.5 Cg_endo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 123.322 2.681 . . . . 72.55 112.096 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 . . . . . 0 N--CA 1.465 0.296 0 CA-C-O 120.298 0.094 . . . . 72.31 111.143 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 m -147.41 95.09 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.302 0.482 . . . . 52.51 112.302 -174.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.5 m -71.69 145.7 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.574 -0.899 . . . . 62.13 108.574 167.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -95.82 88.09 4.84 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.186 -0.606 . . . . 45.11 110.872 -174.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.6 ' HB3' HD11 ' A' ' 90' ' ' LEU . 98.0 mt -111.92 137.66 49.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 75.21 110.236 176.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -112.64 111.22 21.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.478 -0.328 . . . . 71.21 110.208 -177.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.535 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 68.3 mt -74.05 118.31 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.91 0.386 . . . . 74.12 110.443 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.593 ' HB ' ' HA ' ' A' ' 91' ' ' HIS . 5.4 m -116.57 108.94 16.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.025 -0.534 . . . . 72.52 110.653 -176.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -87.83 151.98 22.45 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.341 -0.614 . . . . 73.43 109.341 179.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.99 -54.74 4.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.81 0.338 . . . . 65.11 111.621 -174.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -79.22 -32.09 43.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.162 0.506 . . . . 74.23 110.544 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 27' ' ' PHE . 8.1 mp -99.81 83.35 2.73 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.036 -0.727 . . . . 72.41 109.036 173.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -75.87 -13.9 60.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.826 -0.625 . . . . 72.13 111.962 -172.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -109.67 27.14 9.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.324 0.583 . . . . 61.42 110.223 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.496 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 70.5 t80 -81.1 89.68 5.98 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.866 -0.606 . . . . 62.24 109.398 176.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -78.65 102.2 7.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.081 -0.509 . . . . 73.25 110.555 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.41 123.77 20.68 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.072 -0.513 . . . . 53.51 110.521 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -101.05 143.56 31.03 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.003 -0.544 . . . . 65.32 109.673 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.5 ' HB3' ' HB2' ' A' ' 17' ' ' LEU . . . -117.9 99.87 7.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.291 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -122.27 103.14 8.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.84 -0.618 . . . . 73.14 110.757 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -126.34 173.12 9.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.384 -0.825 . . . . 71.21 109.475 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.2 p -67.48 143.97 97.5 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.596 -0.274 . . . . 74.05 110.413 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.588 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 34.8 Cg_endo -65.34 -2.77 6.44 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.984 2.456 . . . . 65.31 112.905 -177.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.443 ' HA ' ' HB3' ' A' ' 78' ' ' PRO . 74.9 mt-30 -85.47 -7.53 58.86 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.079 0.466 . . . . 73.5 110.421 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.1 ttt -82.79 151.07 26.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.849 -0.614 . . . . 73.52 110.32 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 23.9 p -120.71 164.6 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.218 -0.446 . . . . 71.35 109.992 176.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' ' 42' ' ' VAL . 10.6 p -65.49 -21.22 28.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 121.508 0.671 . . . . 73.4 110.036 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -54.27 -36.65 63.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.234 -0.894 . . . . 54.1 111.043 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.23 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.546 . . . . 75.23 111.745 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 39' ' ' VAL . 9.2 p -82.96 -28.73 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.569 -0.452 . . . . 75.34 110.213 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -62.64 -54.06 45.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 65.55 110.226 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.64 -35.01 75.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.677 -0.692 . . . . 70.34 110.69 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -62.78 -53.69 50.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.94 -0.573 . . . . 74.11 110.835 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.85 -28.34 64.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 64.42 110.936 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -55.13 -53.78 51.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 62.35 111.097 176.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.481 ' NZ ' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -90.42 9.79 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 75.33 111.129 -178.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -100.7 -53.04 3.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.068 0.461 . . . . 75.55 110.043 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 79.6 m -100.39 -21.86 15.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.051 -0.522 . . . . 73.23 111.408 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.06 40.49 93.11 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.524 -0.846 . . . . 40.43 111.905 -178.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -105.87 172.31 6.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.914 0.388 . . . . 65.02 110.435 -176.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.9 m -85.04 135.16 34.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.093 -0.503 . . . . 74.24 110.366 -177.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 m -71.55 -28.01 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 73.03 111.972 -176.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.89 -26.87 63.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.24 0.543 . . . . 63.42 110.116 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.8 m -79.47 -9.64 59.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.661 -0.7 . . . . 52.42 110.677 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.599 ' HE2' HD21 ' A' ' 59' ' ' LEU . 27.9 ttt -95.0 85.19 4.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.055 0.455 . . . . 71.12 110.303 -178.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.1 109.41 20.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.843 -0.617 . . . . 74.25 110.213 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.599 HD21 ' HE2' ' A' ' 57' ' ' MET . 94.1 mt -89.85 105.06 17.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.064 -0.516 . . . . 65.22 110.143 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.663 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 50.1 mm-40 -78.56 86.49 4.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.924 -0.58 . . . . 74.23 110.324 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 31.0 tp -89.43 104.13 16.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.541 -0.754 . . . . 74.41 110.087 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.499 ' CZ ' ' HB3' ' A' ' 60' ' ' GLU . 50.9 m-85 -102.18 151.44 22.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.99 -0.55 . . . . 64.25 110.561 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -84.24 -2.14 56.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.058 -0.519 . . . . 64.31 109.682 173.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.0 t70 81.28 -2.06 1.71 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.64 -1.164 . . . . 71.03 111.63 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 m -96.73 -38.42 9.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.687 -0.486 . . . . 62.34 109.687 173.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.32 -11.1 0.88 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 75.11 112.568 178.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.8 m -92.13 131.82 37.09 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.054 0.454 . . . . 55.14 110.601 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -71.27 127.97 34.34 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.212 0.53 . . . . 74.5 109.653 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.495 HG23 ' HG ' ' A' ' 61' ' ' LEU . 29.6 m -113.96 17.87 7.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-O 121.588 0.709 . . . . 71.05 109.701 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -84.01 60.51 5.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.072 -0.967 . . . . 75.22 111.536 -177.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.05 87.46 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.083 0.944 . . . . 74.41 109.36 173.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 1.032 ' HB3' ' HB3' ' A' ' 75' ' ' ASP . 3.0 mm? -90.68 82.81 5.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.473 -0.785 . . . . 55.3 111.274 -172.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.4 t -84.79 -30.51 24.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.725 -0.67 . . . . 52.41 109.412 173.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -103.58 27.42 7.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.401 -0.818 . . . . 61.35 109.753 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 1.032 ' HB3' ' HB3' ' A' ' 72' ' ' LEU . 20.0 p-10 -61.61 -27.29 68.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.674 -0.693 . . . . 71.44 111.472 -177.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 p -98.29 14.77 26.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.929 -0.578 . . . . 54.35 111.178 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -129.35 161.08 60.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.982 -0.377 . . . . 62.41 109.982 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.443 ' HB3' ' HA ' ' A' ' 36' ' ' GLN . 51.0 Cg_exo -55.8 125.91 20.66 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.508 2.139 . . . . 70.12 112.434 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.9 tp -60.59 -34.59 74.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.176 0.512 . . . . 64.15 111.183 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.588 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -70.92 -14.9 73.63 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.78 -0.646 . . . . 64.4 113.01 -177.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -70.11 -45.02 67.77 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.583 -0.525 . . . . 74.22 109.583 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -75.6 -40.35 56.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.828 -0.624 . . . . 64.34 110.271 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.5 m 62.01 88.82 0.11 Allowed Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 115.758 -0.656 . . . . 64.31 110.697 -178.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.672 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . 2.8 Cg_endo -80.96 -169.02 0.71 Allowed 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.003 2.469 . . . . 74.45 112.328 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 86.0 t80 -64.8 -31.92 73.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.259 -0.428 . . . . 74.31 110.835 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 85' ' ' PHE . 14.4 t70 72.48 132.61 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.861 0.726 . . . . 72.54 111.472 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.92 44.15 3.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 73.23 112.019 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.672 ' HE2' ' HB2' ' A' ' 84' ' ' PRO . 73.3 m-85 -92.4 166.28 12.64 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.281 0.562 . . . . 73.41 111.807 -175.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -94.47 115.82 28.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.256 -0.884 . . . . 63.04 110.059 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' A' ' 17' ' ' LEU . 92.4 mt -89.53 74.72 7.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.506 -0.553 . . . . 72.32 109.506 174.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.663 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 12.2 t-160 -81.66 102.76 10.9 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.116 0.484 . . . . 55.51 110.739 -175.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.2 mt -88.09 125.6 41.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.577 -0.738 . . . . 42.31 109.888 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.3 mm -78.28 111.22 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.294 -0.412 . . . . 64.54 110.353 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -84.07 93.17 8.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.95 0.405 . . . . 53.32 109.99 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.542 ' H ' HD23 ' A' ' 95' ' ' LEU . 2.6 pt? -123.71 6.05 8.82 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.118 -0.492 . . . . 64.03 110.663 -178.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 6.9 p-10 -82.48 116.71 65.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.393 0.616 . . . . 72.5 110.484 -176.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 57.7 Cg_endo . . . . . 0 C--O 1.251 1.172 0 C-N-CA 123.138 2.559 . . . . 72.55 112.066 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.034 0.445 . . . . 53.44 110.268 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.8 p -77.7 106.77 9.73 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.826 -0.624 . . . . 73.02 110.047 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.36 153.67 6.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.014 0.435 . . . . 63.02 110.961 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.492 ' HB2' ' HB2' ' A' ' 86' ' ' ASP . 34.5 m80 -108.53 152.84 24.19 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.301 -0.629 . . . . 72.32 109.301 178.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.582 ' HB2' ' HB2' ' A' ' 30' ' ' ASP . 95.6 mt -116.57 -154.12 0.54 Allowed 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 108.885 -0.783 . . . . 64.34 108.885 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.6 95.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.373 -0.603 . . . . 75.44 109.373 171.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.1 mt -80.93 133.21 29.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.844 -0.617 . . . . 70.44 109.976 -177.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.0 m -143.47 147.42 34.52 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.451 -0.574 . . . . 54.53 109.451 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -116.96 177.85 4.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.918 0.389 . . . . 60.0 110.84 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.95 -32.89 15.09 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.822 -0.807 . . . . 61.45 108.822 171.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -66.15 -58.31 5.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.867 -1.06 . . . . 73.04 109.634 171.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 27' ' ' PHE . 94.8 mt -86.82 97.13 10.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.536 -0.757 . . . . 70.44 110.202 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -69.67 -58.67 3.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.86 -0.609 . . . . 72.15 110.222 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.7 m -82.09 85.46 6.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.806 -0.634 . . . . 75.14 109.861 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.437 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 26.0 t80 -144.2 106.01 4.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.2 -178.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.5 m -127.6 78.38 1.82 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.871 -0.604 . . . . 54.25 110.163 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.91 147.94 44.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.61 -0.723 . . . . 21.42 109.681 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.582 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 4.9 p-10 -166.05 176.55 7.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.078 0.466 . . . . 74.31 110.633 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.81 128.21 46.22 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.54 -0.754 . . . . 75.45 110.382 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.4 ' H ' ' HG2' ' A' ' 32' ' ' ARG . 10.4 ptt180 -68.65 122.7 19.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.776 -0.647 . . . . 55.33 110.78 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -128.29 -173.58 2.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.855 -0.611 . . . . 73.21 110.686 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.5 p -90.35 149.36 40.97 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.458 -0.792 . . . . 72.42 110.152 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.435 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 56.5 Cg_endo -71.59 4.84 2.74 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.524 2.149 . . . . 51.42 112.018 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.581 ' HA ' ' HB3' ' A' ' 78' ' ' PRO . 48.2 mt-30 -101.84 6.62 41.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 63.32 110.888 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 57.5 ttp -76.53 107.75 9.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.963 -0.562 . . . . 74.13 109.949 176.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 10.7 p -84.54 143.68 29.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.25 -0.432 . . . . 65.35 110.89 -178.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 42.4 t -62.72 -28.51 45.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.178 0.514 . . . . 64.02 110.897 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -68.0 -40.54 82.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.241 -0.436 . . . . 60.42 109.941 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.08 -39.46 72.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 74.42 111.693 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.0 p -67.42 -28.62 42.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.679 0.276 . . . . 55.34 111.087 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 98.7 mttt -61.17 -46.0 92.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.81 0.338 . . . . 75.14 110.563 177.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -69.16 -30.35 68.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 53.14 110.878 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -72.89 -31.19 64.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.861 0.363 . . . . 74.54 110.467 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.37 -39.85 58.72 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.556 -0.535 . . . . 53.2 109.556 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -58.96 -36.13 74.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.493 -0.776 . . . . 74.21 110.665 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -86.91 12.88 10.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 74.55 111.95 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -129.26 -49.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.937 0.398 . . . . 74.41 110.839 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.2 m -91.4 -34.01 15.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.112 -0.495 . . . . 71.21 111.053 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.13 4.76 86.71 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.7 -0.762 . . . . 52.24 111.974 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.4 m -96.38 138.36 34.09 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.326 -0.25 . . . . 64.54 110.326 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.7 m -69.87 140.63 53.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.947 -0.39 . . . . 63.2 109.947 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -75.24 9.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 112.542 0.571 . . . . 73.52 112.542 -172.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.1 -30.26 67.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.973 0.416 . . . . 75.22 110.587 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 m -85.94 11.32 11.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.955 -0.566 . . . . 54.44 111.298 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.4 ttp -128.19 108.24 10.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.821 0.343 . . . . 55.24 110.8 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.559 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -99.19 121.79 41.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.163 -0.472 . . . . 64.21 110.299 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 81.0 mt -99.51 111.4 23.76 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.503 0.668 . . . . 74.22 110.597 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -104.84 112.52 25.66 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.913 -1.039 . . . . 74.12 109.397 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 88' ' ' PHE . 48.1 tp -94.08 118.45 31.55 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.394 -0.366 . . . . 52.12 111.136 -174.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.565 ' HA ' ' O ' ' A' ' 67' ' ' SER . 24.0 m-85 -97.99 141.67 30.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.799 -0.637 . . . . 72.31 110.86 176.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.51 175.5 5.47 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.385 -0.969 . . . . 75.31 108.385 169.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -97.56 -7.09 32.06 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.389 0.515 . . . . 73.43 112.389 -170.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.7 p -110.55 -33.03 6.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.909 0.385 . . . . 53.42 111.513 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.78 -113.17 3.08 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.753 -0.737 . . . . 62.34 111.998 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.565 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 50.2 m -152.02 -81.45 0.1 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.767 0.318 . . . . 75.32 110.906 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -99.09 122.0 41.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.88 0.371 . . . . 54.44 110.946 -175.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 m -127.91 41.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.15 0.5 . . . . 75.05 110.724 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.29 111.26 12.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.086 -0.506 . . . . 72.42 111.759 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.3 t -94.41 -71.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.489 -0.56 . . . . 60.25 109.489 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.7 tp 66.92 21.83 10.27 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.917 -0.583 . . . . 63.1 111.61 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -119.18 4.37 11.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.602 -0.888 . . . . 73.41 108.602 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -101.49 13.99 33.31 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.431 -1.259 . . . . 72.25 110.539 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.419 ' CB ' ' HB ' ' A' ' 39' ' ' VAL . 8.2 p-10 -63.91 -23.95 67.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.529 -0.759 . . . . 72.43 112.884 -171.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.7 m -94.4 3.2 55.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.926 0.393 . . . . 63.21 111.366 -178.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -121.95 160.36 47.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.672 -0.492 . . . . 61.24 109.672 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.581 ' HB3' ' HA ' ' A' ' 36' ' ' GLN . 19.8 Cg_exo -67.3 133.17 29.63 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.086 1.857 . . . . 74.13 110.432 171.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.882 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 35.8 tp -60.53 -29.25 69.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.275 0.559 . . . . 75.53 110.809 -178.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.435 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -67.52 -16.39 67.44 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.912 -0.585 . . . . 73.41 112.708 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -69.24 -30.52 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.117 0.484 . . . . 73.43 109.916 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -86.62 -25.82 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.7 -0.682 . . . . 72.15 109.695 175.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.6 m 65.58 83.45 0.19 Allowed Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 114.949 -1.023 . . . . 53.45 111.182 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.882 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 57.6 Cg_endo -95.09 -164.73 0.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.105 2.537 . . . . 61.31 112.794 -178.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.543 ' H ' ' HE2' ' A' ' 88' ' ' PHE . 96.8 m-85 -112.96 175.87 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 72.13 109.743 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.492 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . 2.2 p-10 -110.51 4.83 20.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.208 0.528 . . . . 61.15 110.101 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.98 21.4 36.07 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.854 -0.688 . . . . 45.22 112.85 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.543 ' HE2' ' H ' ' A' ' 85' ' ' PHE . 35.5 m-85 -80.64 146.51 31.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.823 0.344 . . . . 74.22 110.25 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -115.53 116.09 27.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.052 0.453 . . . . 74.43 110.372 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.6 mp -87.87 100.56 12.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.742 -0.663 . . . . 71.34 110.233 -177.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -87.23 96.05 10.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.181 0.515 . . . . 54.41 109.902 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 67.9 mt -76.53 114.12 16.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.66 -0.7 . . . . 74.41 109.676 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.559 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 45.5 mm -74.22 110.4 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.975 -0.557 . . . . 61.44 109.98 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.33 99.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.954 -0.566 . . . . 74.32 110.159 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.8 mt -100.87 -163.69 1.04 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.683 -0.689 . . . . 72.0 109.781 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -113.98 107.56 52.05 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 121.294 0.569 . . . . 72.41 110.801 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.773 2.315 . . . . 73.52 111.191 175.656 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 CA--C 1.515 -0.369 0 CA-C-O 121.155 0.502 . . . . 72.13 110.133 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 m -152.53 153.53 33.63 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.605 -0.725 . . . . 45.21 110.137 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 35.1 m -86.42 153.76 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.271 -0.64 . . . . 71.31 109.271 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.455 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 48.0 m80 -98.5 91.1 5.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.27 0.557 . . . . 72.31 110.922 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.92 113.64 16.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.601 -0.727 . . . . 72.4 109.644 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -93.18 94.32 8.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.03 0.443 . . . . 64.14 110.456 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.535 ' O ' ' HA ' ' A' ' 28' ' ' SER . 58.6 mt -69.63 117.91 13.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.865 -0.607 . . . . 71.11 110.312 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.539 ' O ' ' HA ' ' A' ' 91' ' ' HIS . 10.6 m -122.33 125.74 46.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.231 -0.441 . . . . 74.01 110.051 -178.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.576 ' HD2' ' HB ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -84.61 165.01 18.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.643 0.259 . . . . 71.41 110.872 -178.282 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HB3' ' H ' ' A' ' 94' ' ' ASP . . . -99.0 -38.66 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 64.42 110.364 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -75.29 -63.97 1.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.312 -0.625 . . . . 72.05 109.312 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -87.78 92.64 9.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.946 -0.57 . . . . 65.1 109.782 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 25' ' ' LYS . 34.9 ttpt -67.85 -27.96 67.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.071 0.462 . . . . 55.15 110.411 -176.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.1 m -69.52 -16.17 63.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.941 -0.572 . . . . 75.02 111.099 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.531 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 92.8 t80 -75.53 106.28 7.0 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.269 0.557 . . . . 75.4 109.907 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 41.2 m -137.99 114.57 10.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.421 -0.809 . . . . 72.1 109.44 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.493 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -113.8 116.04 28.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.183 -0.462 . . . . 72.05 111.295 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -81.3 102.85 10.67 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.294 -0.632 . . . . 72.23 109.294 174.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -112.93 118.77 35.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.27 -0.423 . . . . 51.55 111.374 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 10.0 ptm180 -89.56 115.39 26.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.078 -0.51 . . . . 44.05 111.038 178.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -133.88 141.41 47.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.889 -0.596 . . . . 65.13 109.886 175.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -63.67 143.91 97.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.554 -0.294 . . . . 71.54 110.683 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.578 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 36.2 Cg_endo -64.46 -5.76 10.6 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.079 2.519 . . . . 74.31 113.074 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.52 -13.43 59.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.186 0.517 . . . . 72.25 110.419 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.5 ttt -88.02 146.32 25.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.846 -0.616 . . . . 72.11 109.78 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 p -102.06 163.04 12.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.282 -0.417 . . . . 52.14 110.81 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 41.4 t -65.81 -34.4 70.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.211 0.529 . . . . 61.33 109.611 176.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -51.78 -44.86 63.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.025 -0.988 . . . . 74.0 111.176 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.47 -33.14 75.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 64.13 111.336 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -74.02 -40.95 52.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.182 0.515 . . . . 72.13 110.021 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -61.17 -30.75 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.452 -0.794 . . . . 55.41 111.552 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 17.5 tt0 -52.77 -49.59 65.25 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.012 0.434 . . . . 54.13 110.803 176.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -68.28 -35.05 77.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.594 -0.73 . . . . 64.04 111.44 -172.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.99 -36.74 59.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.008 0.432 . . . . 75.01 110.474 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -64.12 -58.13 7.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.733 -0.667 . . . . 75.31 111.411 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 61.3 pttt -72.9 -6.08 42.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.856 0.36 . . . . 55.23 111.716 -174.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -77.15 -34.6 56.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.364 0.602 . . . . 63.42 109.822 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.7 m -103.46 -49.38 3.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.502 -0.772 . . . . 54.21 111.829 -171.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.88 29.1 35.75 Favored Glycine 0 N--CA 1.453 -0.197 0 N-CA-C 110.858 -0.897 . . . . 74.02 110.858 -172.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.8 m -100.54 157.95 16.28 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.268 -0.466 . . . . 63.34 110.012 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.8 m -55.07 137.0 47.51 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 110.168 -0.308 . . . . 72.13 110.168 176.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.1 p -67.29 -23.29 30.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.87 0.367 . . . . 73.02 111.167 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -77.02 -25.85 53.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.007 0.432 . . . . 43.22 110.661 178.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.467 ' HB3' ' HB2' ' A' ' 96' ' ' ASP . 17.0 m -73.72 -24.76 59.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.063 0.458 . . . . 64.24 110.379 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 48.8 ttp -92.18 83.53 5.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.757 -0.656 . . . . 62.41 109.892 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -89.05 138.56 31.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.823 -0.626 . . . . 64.31 110.215 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.532 ' HG ' HD13 ' A' ' 92' ' ' ILE . 5.9 tt -123.29 120.2 32.38 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.99 -0.744 . . . . 72.04 108.99 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.666 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 38.5 mm-40 -96.14 107.83 20.2 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.795 -0.446 . . . . 74.12 109.795 177.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.1 tp -73.5 87.73 1.61 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.283 0.563 . . . . 72.14 109.796 177.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -95.9 119.76 34.98 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.148 0.795 . . . . 65.43 113.148 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -76.8 145.38 38.52 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.11 -1.811 . . . . 74.41 106.11 157.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -79.75 62.97 4.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.832 0.825 . . . . 73.44 110.81 -171.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.7 m -123.66 -37.1 2.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.476 -1.238 . . . . 62.11 109.606 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.54 -54.06 0.45 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.775 -0.726 . . . . 55.11 112.508 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.5 t -96.74 165.19 12.24 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.04 0.448 . . . . 63.0 110.528 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -80.26 139.49 36.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.82 -0.627 . . . . 74.5 109.833 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.1 m -87.86 -1.5 8.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.821 0.343 . . . . 45.01 111.645 -176.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -147.32 150.46 34.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.702 0.287 . . . . 72.21 111.053 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.472 HG13 ' H ' ' A' ' 73' ' ' SER . 7.4 p -70.94 -17.92 20.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.437 0.637 . . . . 72.43 109.91 174.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 21.5 tp 64.18 20.17 12.07 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.128 -0.942 . . . . 65.41 111.706 175.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.472 ' H ' HG13 ' A' ' 71' ' ' VAL . 44.9 m -82.98 2.02 36.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.336 -0.987 . . . . 52.12 108.336 169.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -100.91 24.42 9.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 113.973 -1.467 . . . . 72.33 108.982 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.524 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 11.6 p-10 -71.23 -15.74 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 73.21 111.51 -173.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 t -87.78 -3.13 58.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.271 0.558 . . . . 51.33 109.681 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 77' ' ' ARG . 4.3 mmp_? -89.67 145.69 34.06 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.932 -0.576 . . . . 73.5 110.235 178.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -67.37 135.87 38.11 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.541 2.161 . . . . 73.15 111.207 173.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.3 mt -56.65 -36.15 69.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.228 -0.442 . . . . 61.34 112.184 -175.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.578 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -76.55 -10.97 85.58 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 121.234 -0.508 . . . . 72.31 112.72 -177.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -103.25 -0.61 30.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.681 0.753 . . . . 74.33 109.086 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -104.25 -63.87 1.16 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.315 -0.857 . . . . 61.51 109.858 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 16.3 p -175.26 105.11 0.26 Allowed Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.506 177.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 83' ' ' SER . 4.1 Cg_exo -80.08 71.28 7.13 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 123.318 2.679 . . . . 72.42 112.15 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -66.07 -62.12 1.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.775 -0.648 . . . . 64.45 111.176 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.9 t70 178.46 -56.88 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.373 0.606 . . . . 75.11 109.756 -176.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 16' ' ' HIS . . . 167.22 98.37 0.12 Allowed Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.206 -0.906 . . . . 54.21 111.206 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -71.39 161.06 31.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.951 0.405 . . . . 71.11 110.511 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -86.04 107.53 17.84 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.263 -0.643 . . . . 72.54 109.263 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 19' ' ' ILE . 81.6 mt -74.44 88.56 2.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.899 -0.591 . . . . 75.53 109.591 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.666 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 12.1 t-80 -82.44 94.79 7.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.105 0.479 . . . . 71.41 110.215 -177.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.576 ' HB ' ' HD2' ' A' ' 21' ' ' HIS . 47.1 mm -74.31 117.04 17.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.479 -0.782 . . . . 75.15 109.707 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.551 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 47.2 mm -81.22 107.0 13.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.128 -0.487 . . . . 72.21 110.187 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.471 ' H ' ' HB3' ' A' ' 22' ' ' ALA . 9.4 m-20 -72.61 67.68 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.159 -0.682 . . . . 62.51 109.159 173.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.1 tp -75.95 -43.31 45.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 75.14 110.685 -175.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.497 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 15.0 t70 -83.07 115.05 56.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.072 -0.513 . . . . 71.31 109.663 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 5.9 Cg_exo . . . . . 0 C--O 1.25 1.119 0 C-N-CA 123.236 2.624 . . . . 72.15 112.475 -175.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 . . . . . 0 CA--C 1.53 0.174 0 CA-C-O 121.702 0.763 . . . . 53.44 110.246 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.505 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 56.4 p -169.73 133.07 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.935 -0.575 . . . . 73.02 110.64 -177.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.675 HG11 ' HG2' ' A' ' 84' ' ' PRO . 18.6 m -121.35 134.33 65.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.996 0.427 . . . . 63.02 111.063 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -85.64 107.08 17.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.231 -0.441 . . . . 72.32 111.313 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.2 mt -87.21 100.04 12.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.575 -0.898 . . . . 64.34 108.575 171.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.604 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 71.0 m-70 -76.6 101.1 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.778 -0.646 . . . . 75.44 110.332 -172.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.2 mt -86.98 136.18 23.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.02 -0.537 . . . . 70.44 110.623 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.2 m -140.51 142.37 35.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.299 -0.41 . . . . 54.53 110.007 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.516 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 1.9 t-160 -93.02 151.79 19.68 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.59 -0.522 . . . . 60.0 109.59 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . . . -72.19 -53.99 11.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.86 0.362 . . . . 61.45 111.263 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -75.33 -14.9 60.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.236 -0.438 . . . . 73.04 111.277 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.516 ' HB3' ' HB3' ' A' ' 21' ' ' HIS . 44.6 tp -120.58 100.47 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 70.44 110.464 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -67.6 -44.8 77.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.724 -0.671 . . . . 72.15 110.978 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 t -86.63 90.72 8.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.017 0.437 . . . . 75.14 109.836 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -133.54 95.37 3.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.824 -0.626 . . . . 74.22 110.182 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.8 m -103.4 86.9 2.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.099 0.476 . . . . 54.25 110.42 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.92 32.2 0.69 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.926 -0.579 . . . . 21.42 111.134 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.515 ' CB ' ' HA ' ' A' ' 18' ' ' HIS . 4.3 p-10 -77.86 155.79 30.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.999 0.428 . . . . 74.31 109.927 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.61 158.84 43.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.143 -0.481 . . . . 75.45 111.126 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.505 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 11.8 ptt180 -89.75 108.62 19.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.781 -0.645 . . . . 55.33 109.508 173.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -98.17 160.41 14.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.135 -0.484 . . . . 73.21 111.254 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.3 m -81.16 118.54 72.78 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.478 -0.783 . . . . 72.42 109.61 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.467 ' HB2' ' CA ' ' A' ' 80' ' ' GLY . 20.7 Cg_endo -61.22 -19.98 66.03 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.053 2.502 . . . . 51.42 114.018 -174.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -71.34 1.9 5.57 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.839 -0.538 . . . . 63.32 112.032 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 57.4 ttp -97.99 134.95 40.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.678 -0.49 . . . . 74.13 109.678 173.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.0 p -83.2 151.6 25.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.9 0.381 . . . . 65.35 110.83 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.506 ' O ' HG12 ' A' ' 42' ' ' VAL . 43.4 t -68.84 -29.07 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.283 0.563 . . . . 64.02 109.891 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.526 ' HB2' ' HA ' ' A' ' 76' ' ' SER . 45.5 tt0 -62.5 -40.44 96.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.864 -0.607 . . . . 60.42 110.418 175.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.3 87.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.104 -0.498 . . . . 74.42 111.454 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.7 p -75.11 -30.65 23.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.617 -0.433 . . . . 55.34 110.826 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 93.8 mttt -61.24 -51.34 69.37 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.12 -0.696 . . . . 75.14 109.12 173.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 30.0 tt0 -57.16 -45.86 83.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.861 -1.063 . . . . 53.14 110.801 178.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -63.12 -37.55 87.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.851 -0.613 . . . . 74.54 111.434 -176.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.6 mt -75.67 -37.39 59.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.1 0.476 . . . . 53.2 110.415 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -60.47 -43.35 97.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.889 -0.596 . . . . 74.21 110.559 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 9.5 mtpm? -62.08 -19.96 63.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.013 -0.54 . . . . 74.55 111.419 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -86.88 -52.0 5.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.449 -0.341 . . . . 74.41 111.256 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.4 m -99.64 -39.31 8.34 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.528 0.566 . . . . 71.21 112.528 -173.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.91 22.24 39.63 Favored Glycine 0 N--CA 1.454 -0.127 0 C-N-CA 120.539 -0.838 . . . . 52.24 112.113 -174.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.9 m -90.21 134.58 34.2 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.202 -0.295 . . . . 64.54 110.202 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 m -53.48 133.65 40.78 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.39 -0.368 . . . . 63.2 111.067 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.26 -16.07 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 112.15 0.426 . . . . 73.52 112.15 -173.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -81.51 -28.29 34.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.851 0.358 . . . . 75.22 110.279 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.7 m -75.46 -25.79 57.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.409 0.624 . . . . 54.44 109.86 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.4 ttp -89.64 71.43 7.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.627 -0.715 . . . . 55.24 109.188 174.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.453 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -82.96 125.09 31.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.39 -0.823 . . . . 64.21 111.226 -176.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.5 mt -110.57 97.4 6.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.281 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.65 111.95 13.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.941 0.401 . . . . 74.12 110.237 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 88' ' ' PHE . 34.0 tp -78.52 101.43 7.36 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.794 -0.639 . . . . 52.12 110.035 178.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -90.01 118.7 29.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.979 -0.555 . . . . 72.31 110.03 177.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -81.44 153.92 26.65 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.994 -0.743 . . . . 75.31 108.994 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -94.11 55.14 2.01 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.354 0.597 . . . . 73.43 110.382 -176.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -161.25 -54.9 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.779 -0.646 . . . . 53.42 110.044 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.43 -92.18 1.74 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.204 -0.522 . . . . 62.34 112.376 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -164.28 -75.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.739 0.305 . . . . 75.32 111.065 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -124.0 126.33 46.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.424 -0.353 . . . . 54.44 110.765 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 m -122.64 74.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.552 0.692 . . . . 75.05 110.835 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.61 94.7 5.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.756 -0.656 . . . . 72.42 111.383 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.1 t -93.11 -41.44 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.092 -0.707 . . . . 60.25 109.092 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.9 tp 61.61 37.98 15.75 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.842 -1.072 . . . . 63.1 111.427 174.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.8 t -127.26 4.36 6.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 122.104 0.954 . . . . 73.41 108.562 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -118.59 -9.61 10.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.592 -1.186 . . . . 72.25 110.333 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.476 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 9.5 p-10 -76.97 -28.18 55.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.473 -0.785 . . . . 72.43 110.6 -175.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.526 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 9.7 m -89.56 14.41 11.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.828 -0.624 . . . . 63.21 110.287 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.4 mmm-85 -121.27 157.47 55.73 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.032 -0.729 . . . . 61.24 109.032 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -59.2 117.77 4.56 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 121.838 1.692 . . . . 74.13 110.368 172.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.549 ' O ' ' HD3' ' A' ' 84' ' ' PRO . 14.8 tp -62.36 -24.67 67.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.42 -0.354 . . . . 75.53 110.704 -172.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.467 ' CA ' ' HB2' ' A' ' 35' ' ' PRO . . . -66.64 -36.84 91.92 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.424 -0.417 . . . . 73.41 112.102 176.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -68.09 -36.99 80.69 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.569 -0.53 . . . . 73.43 109.569 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -69.06 -30.84 69.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.41 -0.813 . . . . 72.15 110.334 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.6 t 66.13 91.17 0.08 OUTLIER Pre-proline 0 C--N 1.333 -0.112 0 CA-C-N 115.559 -0.746 . . . . 53.45 110.029 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.675 ' HG2' HG11 ' A' ' 15' ' ' VAL . 83.7 Cg_endo -83.49 154.81 13.98 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.465 2.11 . . . . 61.31 112.227 -175.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -117.8 142.45 47.27 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.099 -0.5 . . . . 72.13 109.803 177.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -75.84 89.99 2.91 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.231 0.539 . . . . 61.15 110.638 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.52 30.09 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.88 -0.676 . . . . 45.22 111.926 177.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.561 ' HB3' HD11 ' A' ' 61' ' ' LEU . 93.3 m-85 -131.03 151.18 51.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.668 0.27 . . . . 74.22 110.418 -178.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.604 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 79.1 mtt85 -124.16 134.36 53.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.323 -0.398 . . . . 74.43 110.878 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.3 mt -95.09 101.39 13.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.745 -0.661 . . . . 71.34 109.768 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -89.97 101.06 13.76 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.081 -0.34 . . . . 54.41 110.081 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 45.0 mt -69.57 106.61 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.839 -0.619 . . . . 74.41 109.938 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.493 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 47.1 mm -79.71 121.5 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.352 -0.386 . . . . 61.44 110.476 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.64 96.95 5.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.087 -0.506 . . . . 74.32 110.325 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.4 mt -103.51 -168.07 1.46 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.324 -0.398 . . . . 72.0 110.029 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.507 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 8.1 p-10 -92.78 141.39 24.32 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.829 -0.623 . . . . 72.41 110.911 -178.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 9.8 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 123.533 2.822 . . . . 73.52 112.582 -177.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 t70 . . . . . 0 C--O 1.234 0.262 0 N-CA-C 109.035 -0.728 . . . . 71.53 109.035 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.537 ' HB3' ' HB2' ' A' ' 32' ' ' ARG . 62.0 m -155.41 121.46 5.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.716 0.293 . . . . 52.35 110.884 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.702 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 29.8 m -77.12 132.8 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.326 -0.397 . . . . 72.33 110.483 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.46 ' HB2' ' HA3' ' A' ' 87' ' ' GLY . 34.3 m80 -89.22 88.25 7.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.347 -0.388 . . . . 63.32 111.738 -172.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.477 HD12 ' HD2' ' A' ' 33' ' ' PHE . 88.6 mt -84.78 100.53 11.59 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.538 -0.542 . . . . 64.25 109.538 175.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.537 ' HB2' ' HD3' ' A' ' 89' ' ' ARG . 38.3 m-70 -80.54 111.0 16.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.95 -0.568 . . . . 74.43 110.01 -176.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.4 mm -83.49 108.11 15.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.959 0.409 . . . . 52.03 110.577 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 m -118.28 145.67 44.88 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.05 -0.523 . . . . 52.13 110.057 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.449 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 20.8 m-70 -120.07 177.14 5.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.052 0.453 . . . . 73.13 111.304 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.446 ' HB3' ' H ' ' A' ' 94' ' ' ASP . . . -108.99 -32.96 7.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.378 -0.828 . . . . 44.21 108.915 171.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -69.31 -34.44 74.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.424 -0.807 . . . . 72.41 109.203 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mp -115.09 101.94 9.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.051 -0.977 . . . . 72.41 108.575 173.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -55.73 -31.89 62.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.7 -0.682 . . . . 72.15 112.137 -174.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.9 t -139.73 99.9 3.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.223 -0.658 . . . . 75.4 109.223 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -99.31 122.91 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.905 -0.589 . . . . 74.2 110.148 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 p -80.61 91.84 5.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.994 -0.548 . . . . 63.51 110.891 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -164.17 109.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.132 -0.486 . . . . 73.23 110.996 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -109.86 102.06 10.86 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.454 -0.573 . . . . 71.44 109.454 173.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.05 91.14 8.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.254 -0.43 . . . . 71.1 110.619 -176.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.702 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 11.0 ptt180 -93.44 108.92 20.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.442 0.639 . . . . 71.11 110.233 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.477 ' HD2' HD12 ' A' ' 17' ' ' LEU . 74.0 m-85 -104.31 178.15 4.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.657 -0.701 . . . . 75.41 111.477 -175.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.425 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 22.0 p -82.83 145.79 51.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.301 -0.863 . . . . 61.02 110.862 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 48.6 Cg_exo -57.7 150.29 62.78 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.224 2.616 . . . . 34.33 113.135 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.638 ' HA ' ' H ' ' A' ' 80' ' ' GLY . 37.2 mt-30 65.17 21.68 12.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.217 -0.901 . . . . 74.25 113.244 177.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.78 142.44 54.92 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.611 -0.515 . . . . 70.55 109.611 172.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 t -77.02 123.2 26.01 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.805 -0.443 . . . . 73.31 109.805 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.559 HG12 ' HE3' ' A' ' 43' ' ' LYS . 7.8 t -71.0 -28.77 34.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.328 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 44.5 tt0 -62.52 -35.19 78.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.161 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.18 89.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.973 -0.558 . . . . 53.43 111.59 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.407 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 11.1 p -79.25 -30.55 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.663 -0.415 . . . . 73.04 110.364 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.559 ' HE3' HG12 ' A' ' 39' ' ' VAL . 98.4 mttt -66.32 -37.13 84.67 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.775 0.321 . . . . 74.32 110.174 175.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.428 ' HG2' ' HE2' ' A' ' 48' ' ' LYS . 28.8 tt0 -61.03 -37.41 82.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 73.2 110.111 175.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.441 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 60.8 tttt -71.03 -35.34 71.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.906 -0.588 . . . . 75.33 109.937 -178.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 42' ' ' VAL . 96.0 mt -65.51 -39.35 91.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.087 0.47 . . . . 72.13 110.136 174.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -62.22 -36.06 80.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.729 -0.669 . . . . 73.43 110.4 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 45' ' ' LYS . 54.5 mtmt -80.14 12.03 3.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.96 -0.563 . . . . 74.34 111.759 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -64.02 -45.31 89.5 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.594 -0.521 . . . . 70.43 109.594 171.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.3 p -139.19 -0.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.707 -0.679 . . . . 72.54 111.121 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.23 38.76 53.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.837 -0.697 . . . . 44.14 111.756 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.5 m -135.92 144.84 45.71 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.103 -0.332 . . . . 62.25 110.103 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 m -58.21 148.48 26.93 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.901 0.381 . . . . 72.1 111.031 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.47 81.29 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.284 0.564 . . . . 72.33 109.805 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -114.5 -37.96 4.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.683 -0.689 . . . . 54.14 110.623 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.8 p -86.99 6.29 33.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.988 -0.551 . . . . 64.13 111.281 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.9 ttm -134.55 131.55 38.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.187 -0.46 . . . . 64.54 110.236 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.431 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -114.9 130.75 56.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.36 -0.382 . . . . 73.3 110.539 178.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.1 mt -101.0 100.89 11.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.002 0.43 . . . . 74.14 110.647 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 17.5 mm-40 -87.54 111.87 21.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.02 -0.536 . . . . 65.41 111.059 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.3 tp -86.51 113.7 22.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.035 -0.529 . . . . 74.2 110.216 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.525 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 27.0 m-85 -114.49 135.91 53.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.262 0.553 . . . . 74.11 112.086 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.672 ' HB3' ' HB2' ' A' ' 67' ' ' SER . 20.7 t70 -82.5 124.33 30.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.051 -0.977 . . . . 74.35 109.38 173.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.7 t70 72.01 -64.35 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.977 0.798 . . . . 62.11 111.002 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . 0.531 ' HA ' ' HG3' ' A' ' 89' ' ' ARG . 73.4 m -161.76 -51.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.393 -0.367 . . . . 71.1 111.881 -177.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.56 -25.78 3.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 119.787 -1.196 . . . . 55.5 114.161 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.672 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 20.0 m -60.76 116.19 4.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.005 0.402 . . . . 75.13 111.316 -174.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -76.64 106.07 8.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.082 -0.508 . . . . 61.01 110.218 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.7 m -124.38 34.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.059 0.456 . . . . 75.32 110.979 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.64 108.61 2.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.932 -0.576 . . . . 62.24 110.85 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 p -129.19 145.05 36.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.691 -0.686 . . . . 73.14 109.663 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.9 tp -117.51 102.22 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.266 0.555 . . . . 74.31 110.652 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.4 t -164.88 22.28 0.06 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.315 -0.994 . . . . 73.54 108.315 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.489 ' HB2' HG21 ' A' ' 39' ' ' VAL . 5.0 p-10 -114.11 -11.35 12.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.423 -1.262 . . . . 55.55 112.02 -167.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 31.0 m-20 -64.75 -42.81 94.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.271 0.558 . . . . 54.51 110.494 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.2 m -99.91 9.85 42.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.832 -0.622 . . . . 64.44 111.227 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 14.3 mmt180 -133.24 138.43 31.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.388 . . . . 73.3 111.583 -173.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 77' ' ' ARG . 23.6 Cg_exo -65.02 125.09 14.05 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.563 2.176 . . . . 71.22 110.968 173.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.89 -31.52 64.96 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.907 0.384 . . . . 74.33 111.706 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.638 ' H ' ' HA ' ' A' ' 36' ' ' GLN . . . -75.11 -20.25 79.35 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.878 -0.677 . . . . 73.11 112.947 -177.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -68.07 -30.13 69.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.958 0.408 . . . . 74.12 110.105 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -74.66 -18.17 60.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.709 -0.678 . . . . 71.45 110.294 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t 66.9 95.37 0.05 OUTLIER Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.448 -0.796 . . . . 74.22 110.625 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.493 ' HG2' HG11 ' A' ' 15' ' ' VAL . 7.8 Cg_exo -73.17 151.62 49.51 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 123.08 2.52 . . . . 73.33 112.589 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -63.89 -60.76 2.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.859 -0.609 . . . . 72.21 110.345 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -166.31 -56.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.509 -0.769 . . . . 72.14 109.114 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . 0.46 ' HA3' ' HB2' ' A' ' 16' ' ' HIS . . . -160.7 156.61 27.97 Favored Glycine 0 N--CA 1.436 -1.314 0 CA-C-N 114.953 -1.021 . . . . 65.22 111.546 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -128.46 164.15 23.37 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.957 0.408 . . . . 74.04 110.503 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.537 ' HD3' ' HB2' ' A' ' 18' ' ' HIS . 16.6 mmt180 -96.11 111.16 23.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.89 -0.596 . . . . 74.1 110.38 177.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.5 mt -90.5 92.15 8.74 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.041 -0.726 . . . . 72.31 109.041 174.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 10.7 t-160 -88.54 98.13 11.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.832 -0.622 . . . . 72.51 110.197 -175.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.9 mt -76.75 112.38 14.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.487 -0.778 . . . . 75.03 110.5 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.431 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 45.0 mm -76.31 100.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.433 -0.58 . . . . 72.21 109.433 176.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.449 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 23.0 m-20 -83.07 92.71 7.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.931 -0.577 . . . . 74.4 110.867 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.84 71.99 6.55 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.649 -1.241 . . . . 73.43 107.649 172.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -110.9 119.75 45.23 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.013 -0.994 . . . . 70.22 110.497 -172.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 C--O 1.248 1.008 0 C-N-CA 122.646 2.23 . . . . 70.44 112.001 178.429 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 CA--C 1.518 -0.269 0 N-CA-C 109.764 -0.458 . . . . 53.44 109.764 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.5 p 173.58 114.93 0.02 OUTLIER 'General case' 0 C--O 1.232 0.155 0 O-C-N 123.527 0.517 . . . . 73.02 111.995 173.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 33' ' ' PHE . 20.7 m -109.99 100.34 10.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.875 -0.787 . . . . 63.02 108.875 164.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -77.53 82.55 3.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.441 -0.799 . . . . 72.32 111.726 -176.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.707 HD11 HD21 ' A' ' 79' ' ' LEU . 92.9 mt -86.11 106.07 16.98 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.858 -0.61 . . . . 64.34 109.766 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.654 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 70.5 m-70 -77.88 112.68 15.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.063 -0.517 . . . . 75.44 110.191 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 58.7 mt -76.42 122.36 30.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.883 0.373 . . . . 70.44 110.338 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.9 m -131.17 129.79 42.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.247 -0.433 . . . . 54.53 110.216 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 24' ' ' LEU . 5.7 t-160 -97.73 149.96 21.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.759 -0.46 . . . . 60.0 109.759 -176.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HB3' ' OD2' ' A' ' 94' ' ' ASP . . . -67.92 -39.55 83.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.666 0.27 . . . . 61.45 110.966 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -75.7 -34.35 60.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.784 0.326 . . . . 73.04 110.855 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 21' ' ' HIS . 90.6 mt -106.77 92.9 4.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.491 -0.322 . . . . 70.44 110.29 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -50.56 -51.99 43.09 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.941 0.775 . . . . 72.15 111.572 -177.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 t -105.2 96.62 6.65 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.323 0.582 . . . . 75.14 109.9 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -103.58 114.75 29.25 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.114 -0.699 . . . . 74.22 109.114 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.3 m -81.91 83.2 7.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.879 0.371 . . . . 54.25 111.097 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.523 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -147.83 89.93 1.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.258 0.552 . . . . 21.42 110.902 177.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -107.38 123.24 48.08 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.047 -0.723 . . . . 74.31 109.047 174.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.26 137.13 42.25 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.774 -0.648 . . . . 75.45 109.649 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.3 ptt85 -94.92 100.99 12.75 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.582 0.706 . . . . 55.33 109.747 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.466 ' O ' HG22 ' A' ' 15' ' ' VAL . 90.1 m-85 -84.37 169.23 14.83 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.433 -0.803 . . . . 73.21 109.712 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 p -101.06 149.8 36.54 Favored Pre-proline 0 C--N 1.317 -0.843 0 N-CA-C 109.664 -0.495 . . . . 72.42 109.664 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.503 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 59.0 Cg_endo -70.84 15.3 0.3 Allowed 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 122.724 2.283 . . . . 51.42 113.191 -178.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -83.45 -35.61 24.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.84 0.352 . . . . 63.32 111.158 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 58.8 ttp -78.46 138.54 38.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.241 -0.436 . . . . 74.13 110.464 -175.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 m -93.01 155.79 17.31 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.143 -0.317 . . . . 65.35 110.143 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.591 ' HB ' ' HA ' ' A' ' 75' ' ' ASP . 28.4 t -65.91 -31.96 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.71 0.767 . . . . 64.02 109.797 177.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -57.9 -34.22 69.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.993 -1.003 . . . . 60.42 111.016 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.95 82.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.002 -0.545 . . . . 74.42 111.892 -176.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 39' ' ' VAL . 10.2 p -67.31 -33.65 64.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.863 -0.335 . . . . 55.34 110.98 -177.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -58.69 -55.11 39.37 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.117 0.484 . . . . 75.14 110.188 175.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.01 -40.43 80.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.348 -0.842 . . . . 53.14 111.18 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.442 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 25.2 ttmt -70.58 -35.73 73.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.11 -0.495 . . . . 74.54 111.236 -176.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 42' ' ' VAL . 94.8 mt -68.73 -36.97 79.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.964 0.412 . . . . 53.2 110.259 175.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 26.4 t90 -64.22 -26.38 68.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.697 -0.683 . . . . 74.21 110.461 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -85.25 -41.28 15.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.281 -0.418 . . . . 74.55 110.734 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -67.9 -56.18 10.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.873 -0.603 . . . . 74.41 111.684 -175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.4 m -92.81 -22.45 19.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.387 -0.37 . . . . 71.21 110.971 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.67 27.2 73.6 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.675 -0.774 . . . . 52.24 112.41 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.4 m -124.22 147.56 47.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.167 -0.308 . . . . 64.54 110.167 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.5 m -64.61 136.98 57.56 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.225 0.328 . . . . 63.2 110.835 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.3 m -80.34 0.39 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.953 0.406 . . . . 73.52 111.405 -177.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -80.39 32.06 0.29 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.742 0.782 . . . . 75.22 110.218 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.543 ' HA ' HD12 ' A' ' 95' ' ' LEU . 47.3 m -147.61 19.94 1.17 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.559 0.695 . . . . 54.44 109.302 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.6 ttp -151.61 101.0 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.226 -0.897 . . . . 55.24 109.401 -177.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.45 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -87.28 142.78 27.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.115 -0.493 . . . . 64.21 111.27 -174.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -101.31 102.48 13.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.093 -0.503 . . . . 74.22 109.982 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.994 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 6.3 mm-40 -90.42 110.82 21.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.83 -0.623 . . . . 74.12 110.378 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.583 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 54.0 tp -84.07 107.11 16.22 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.51 -0.552 . . . . 52.12 109.51 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.468 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 2.0 m-85 -83.47 120.49 25.98 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.855 -0.611 . . . . 72.31 111.328 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.87 138.66 35.68 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.69 -1.226 . . . . 75.31 107.69 168.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -97.98 -0.96 43.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.134 0.493 . . . . 73.43 111.03 -171.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.0 t -84.98 -38.64 19.03 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.029 -0.73 . . . . 53.42 109.029 175.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.98 -91.15 1.77 Allowed Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.577 -0.738 . . . . 62.34 111.521 174.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.2 m -165.95 -62.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.768 0.318 . . . . 75.32 111.477 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HE2' ' OE2' ' A' ' 60' ' ' GLU . 42.6 tttm -131.03 125.67 33.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.491 -0.322 . . . . 54.44 111.473 -168.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.583 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 25.2 m -138.91 145.56 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.735 -0.468 . . . . 75.05 109.735 175.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.64 107.59 0.07 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.294 -0.412 . . . . 72.42 111.004 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.9 t -78.5 -53.87 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.149 -0.686 . . . . 60.25 109.149 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.6 tp 71.65 8.42 6.16 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.113 -0.949 . . . . 63.1 111.101 173.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.9 t -94.62 -15.9 23.63 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.683 -1.228 . . . . 73.41 107.683 169.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -84.76 -8.9 58.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.903 -1.499 . . . . 72.25 110.953 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.591 ' HA ' ' HB ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -64.46 -28.75 69.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 72.43 110.393 -177.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.1 m -88.9 4.03 49.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.793 -0.64 . . . . 63.21 110.48 -177.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.4 mmm-85 -119.19 168.79 9.21 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.174 -0.676 . . . . 61.24 109.174 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -62.79 145.74 94.89 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.985 1.79 . . . . 74.13 110.944 173.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.707 HD21 HD11 ' A' ' 17' ' ' LEU . 22.5 tp -60.02 -26.47 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.953 0.406 . . . . 75.53 110.879 -177.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.503 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -74.7 -10.29 83.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.988 -0.625 . . . . 73.41 112.902 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -73.54 -38.71 65.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.108 0.48 . . . . 73.43 109.73 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -89.76 -40.55 12.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.76 -0.655 . . . . 72.15 109.573 175.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 t 63.94 80.32 0.24 Allowed Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 115.447 -0.797 . . . . 53.45 111.813 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.406 ' HB2' HD21 ' A' ' 17' ' ' LEU . 2.9 Cg_exo -77.01 130.69 11.47 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.881 2.387 . . . . 61.31 111.078 174.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -94.78 -173.45 3.0 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.07 0.462 . . . . 72.13 111.51 -174.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -70.5 -11.24 60.8 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.508 -0.769 . . . . 61.15 112.558 -172.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.37 -2.17 80.21 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.678 -0.772 . . . . 45.22 112.685 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -99.51 145.97 26.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.268 0.556 . . . . 74.22 111.67 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.654 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 77.9 mtt180 -128.09 145.92 50.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.774 -0.648 . . . . 74.43 109.973 178.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.516 HD11 HD13 ' A' ' 17' ' ' LEU . 83.9 mt -100.85 106.13 17.47 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.161 -0.311 . . . . 71.34 110.161 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.994 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 9.4 t-160 -94.78 105.14 17.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.03 0.443 . . . . 54.41 110.31 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -79.15 108.68 13.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 74.41 110.201 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.45 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 31.4 mm -81.86 124.59 39.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.972 0.415 . . . . 61.44 110.999 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 22' ' ' ALA . 37.3 m-20 -93.1 121.08 34.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.71 -0.677 . . . . 74.32 109.744 177.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 56' ' ' SER . 94.2 mt -101.87 -157.31 0.6 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.393 -0.595 . . . . 72.0 109.393 175.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -97.14 117.07 66.08 Favored Pre-proline 0 C--N 1.323 -0.571 0 C-N-CA 121.016 -0.273 . . . . 72.41 110.283 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 C--O 1.246 0.917 0 C-N-CA 123.137 2.558 . . . . 73.52 112.096 -179.167 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 t70 . . . . . 0 C--O 1.234 0.264 0 N-CA-C 108.236 -1.024 . . . . 71.44 108.236 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.509 ' HB3' ' O ' ' A' ' 33' ' ' PHE . 28.1 m 61.52 -172.18 0.15 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 123.406 0.441 . . . . 73.24 111.023 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -114.94 143.01 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.872 0.368 . . . . 62.24 110.353 177.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 86' ' ' ASP . 0.1 OUTLIER -98.36 94.59 6.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.059 -0.519 . . . . 73.24 110.982 179.003 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.98 121.53 38.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.651 -0.704 . . . . 73.22 109.592 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.877 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 37.8 m-70 -87.79 116.34 25.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.476 -0.329 . . . . 62.41 110.252 -178.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.0 mt -81.82 116.98 27.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.973 -0.558 . . . . 72.15 110.284 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.545 ' OG1' ' HA ' ' A' ' 91' ' ' HIS . 40.9 p -118.8 137.13 53.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.156 -0.475 . . . . 74.03 110.524 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -95.17 131.8 40.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.133 -0.692 . . . . 75.01 109.133 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HA ' ' NE2' ' A' ' 91' ' ' HIS . . . -56.11 -44.92 79.57 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.142 0.423 . . . . 71.42 112.142 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -75.32 -18.6 59.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.266 -0.424 . . . . 62.15 111.875 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.9 mt -130.4 97.55 4.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.916 0.339 . . . . 75.12 111.916 -173.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -66.71 -24.34 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.035 0.445 . . . . 74.34 110.475 176.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 m -66.19 -26.19 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.942 -0.572 . . . . 73.15 110.785 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -88.06 102.43 14.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.185 -0.461 . . . . 73.21 109.973 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -145.52 63.2 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.725 -0.671 . . . . 75.03 109.978 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.25 134.37 34.14 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.781 -0.645 . . . . 43.25 110.657 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.454 ' HA ' ' HA ' ' A' ' 18' ' ' HIS . 5.7 p-10 -81.14 129.84 34.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.099 0.476 . . . . 75.33 109.836 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.19 160.63 18.06 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 116.056 -0.52 . . . . 72.25 109.68 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -116.06 118.93 34.26 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.341 0.591 . . . . 64.43 110.126 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.509 ' O ' ' HB3' ' A' ' 14' ' ' SER . 90.6 m-85 -127.27 153.71 45.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.838 -0.619 . . . . 65.23 110.015 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 p -96.92 117.75 65.56 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 116.138 -0.483 . . . . 74.51 109.959 176.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.79 -5.14 6.86 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.999 2.466 . . . . 74.2 113.254 -176.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -69.12 -19.8 64.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.858 0.361 . . . . 75.4 110.198 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.9 ttt -88.94 136.63 32.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.86 -0.609 . . . . 64.35 110.306 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.5 m -79.58 139.99 37.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.266 -0.424 . . . . 70.22 110.628 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.48 -27.19 42.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.248 0.547 . . . . 72.21 110.568 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.606 ' HA ' ' NZ ' ' A' ' 43' ' ' LYS . 6.0 tp10 -59.19 -32.43 69.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.776 -0.647 . . . . 74.03 111.059 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.33 4.16 53.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.866 0.365 . . . . 70.51 111.313 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.2 t -97.61 -30.74 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.477 -0.329 . . . . 61.42 111.051 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.606 ' NZ ' ' HA ' ' A' ' 40' ' ' GLU . 59.2 mttp -56.12 -57.01 14.0 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.058 -0.519 . . . . 70.45 112.039 -174.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.12 -38.82 92.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.42 -0.354 . . . . 74.25 111.004 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.38 -42.94 99.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 71.04 110.853 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.42 -40.7 89.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 73.1 110.467 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -61.04 -46.6 90.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.657 -0.701 . . . . 74.43 111.036 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -79.0 -6.35 56.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.363 -0.38 . . . . 72.14 111.187 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -90.64 -50.68 5.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.407 -0.36 . . . . 73.24 110.705 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.7 t -170.08 -24.76 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.227 -0.442 . . . . 71.41 111.677 -174.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.26 172.33 38.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.896 -0.668 . . . . 45.12 112.668 -178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 p -90.13 -175.31 4.5 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.567 0.222 . . . . 65.34 111.193 -178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -57.69 134.04 55.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 62.53 111.341 -175.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.82 88.86 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.104 0.478 . . . . 74.04 109.9 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.6 t30 178.36 -58.88 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.066 -0.97 . . . . 71.32 109.015 -175.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.95 -13.13 36.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.956 -1.02 . . . . 74.11 110.475 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.9 ttp -98.03 101.95 13.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.652 -0.704 . . . . 64.32 109.926 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.549 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -99.82 145.87 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.86 0.362 . . . . 52.23 111.189 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.7 mt -108.93 96.18 6.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.274 -0.421 . . . . 75.34 110.523 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -102.18 111.14 23.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.07 0.462 . . . . 75.14 110.95 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.728 ' H ' ' HB2' ' A' ' 70' ' ' ALA . 41.7 tp -82.41 110.09 17.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.903 -0.59 . . . . 71.14 110.233 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -89.09 140.12 29.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.971 -0.559 . . . . 62.25 110.876 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.464 ' HB2' HG13 ' A' ' 69' ' ' VAL . 27.5 t70 -82.09 78.46 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.051 -0.722 . . . . 75.31 109.051 173.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 70.55 -65.69 0.32 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.545 -1.207 . . . . 74.11 111.13 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -168.62 120.09 0.78 Allowed 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 123.858 0.863 . . . . 32.22 108.95 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.79 141.98 3.08 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.563 -0.827 . . . . 74.34 111.306 -175.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m 62.92 103.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.627 0.727 . . . . 71.14 111.102 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 pttp -91.63 132.52 36.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.926 -0.579 . . . . 74.05 109.774 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.464 HG13 ' HB2' ' A' ' 63' ' ' ASP . 29.7 m -98.84 9.98 7.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.329 0.585 . . . . 60.11 110.838 -174.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.728 ' HB2' ' H ' ' A' ' 61' ' ' LEU . . . -84.27 87.02 7.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.758 -0.655 . . . . 75.44 110.813 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.6 p -89.38 -21.44 6.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.985 -0.552 . . . . 74.4 110.397 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 56.14 80.94 0.13 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.688 -0.687 . . . . 62.53 111.033 -176.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.3 t -138.42 -36.17 0.58 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.437 -0.802 . . . . 71.43 109.69 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.24 26.28 9.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.465 0.65 . . . . 72.21 109.675 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.462 ' CG ' ' HZ1' ' A' ' 43' ' ' LYS . 12.2 t70 -59.83 -42.41 93.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.874 -1.057 . . . . 72.0 111.407 -178.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.1 m -96.12 17.34 15.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.223 -0.444 . . . . 74.12 111.431 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -110.25 160.2 29.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.09 -0.337 . . . . 75.22 110.09 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.88 106.86 1.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.334 2.023 . . . . 74.13 111.268 173.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 79' ' ' LEU . 1.5 tm? -61.72 -32.53 72.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 73.04 110.417 -176.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.54 -14.92 60.9 Favored Glycine 0 CA--C 1.518 0.256 0 CA-C-N 115.867 -0.606 . . . . 75.21 112.872 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -78.74 -31.69 46.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.055 0.455 . . . . 72.43 109.879 175.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -78.04 -74.47 0.26 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.747 -0.66 . . . . 74.42 109.928 -178.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.9 m -162.32 129.83 2.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 73.21 111.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -83.68 126.72 4.1 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.237 1.958 . . . . 70.2 111.431 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -146.75 162.09 39.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.853 0.359 . . . . 71.41 111.593 -176.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.529 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . 4.6 p-10 -141.67 146.62 36.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 65.32 109.749 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.82 -31.48 3.91 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.424 -0.893 . . . . 72.23 112.221 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.565 ' HB3' HD11 ' A' ' 61' ' ' LEU . 74.5 m-85 -66.5 146.89 54.03 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.913 0.387 . . . . 61.12 110.163 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.877 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 56.4 mtm180 -119.51 127.61 53.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.035 0.445 . . . . 74.23 111.141 -176.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.7 mt -82.0 108.83 15.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.51 -0.768 . . . . 74.52 109.892 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.545 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 5.7 t-160 -92.16 96.35 10.27 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.863 -0.791 . . . . 71.2 108.863 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.76 111.82 3.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.876 -0.602 . . . . 74.53 110.303 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.549 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 42.8 mm -93.0 78.81 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.997 -0.742 . . . . 63.24 108.997 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -90.63 99.8 12.76 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.651 0.739 . . . . 61.54 109.753 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.525 ' HG ' HG22 ' A' ' 93' ' ' ILE . 86.5 mt -103.84 21.51 16.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.493 -0.776 . . . . 73.44 110.775 -175.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 4.7 m-20 -55.78 136.89 71.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.105 -0.498 . . . . 71.41 110.722 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 50.9 Cg_exo . . . . . 0 C--O 1.246 0.887 0 C-N-CA 123.294 2.663 . . . . 62.34 112.572 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t70 . . . . . 0 N--CA 1.449 -0.504 0 N-CA-C 108.818 -0.808 . . . . 71.53 108.818 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.768 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 55.8 m -152.61 161.57 42.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.475 -0.329 . . . . 52.35 110.633 -175.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 m -95.5 169.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.128 -0.487 . . . . 72.33 110.502 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -122.48 84.04 2.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.471 -0.331 . . . . 63.32 110.151 -176.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 33' ' ' PHE . 86.2 mt -76.74 110.46 11.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.071 0.462 . . . . 64.25 110.146 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.406 ' HB2' ' HD3' ' A' ' 89' ' ' ARG . 59.4 m-70 -85.15 102.83 13.6 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.84 -0.618 . . . . 74.43 110.29 -175.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.516 HD13 ' HB2' ' A' ' 90' ' ' LEU . 51.3 mm -88.03 122.59 39.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.058 -0.519 . . . . 52.03 110.405 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 m -139.22 125.09 19.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.35 -0.386 . . . . 52.13 110.705 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.412 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 7.7 m-70 -84.57 160.84 20.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.5 -0.318 . . . . 73.13 110.61 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.59 -27.49 15.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.205 0.526 . . . . 44.21 109.76 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.11 -53.13 10.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.5 -0.773 . . . . 72.41 109.807 176.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.46 101.51 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.849 -0.614 . . . . 72.41 109.482 176.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -77.47 -21.56 52.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.078 -0.51 . . . . 72.15 111.519 -175.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.6 m -97.28 9.96 40.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.18 0.514 . . . . 75.4 110.569 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -94.21 93.0 7.52 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.367 -0.605 . . . . 74.2 109.367 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.8 m -113.68 99.53 7.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.809 -0.632 . . . . 63.51 110.341 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.37 127.19 50.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.057 -0.519 . . . . 73.23 109.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -100.87 105.06 16.3 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.142 0.496 . . . . 71.44 109.82 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.52 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -93.5 100.04 12.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.597 -0.729 . . . . 71.1 111.05 -175.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 32' ' ' ARG . 4.4 ptm180 -87.36 122.3 30.94 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.802 -0.636 . . . . 71.11 109.94 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.52 ' CE2' ' HB1' ' A' ' 31' ' ' ALA . 67.9 m-85 -133.67 139.43 46.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.906 -0.588 . . . . 75.41 110.448 -179.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 22.3 m -69.45 136.09 88.56 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.365 -0.606 . . . . 61.02 109.365 174.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.768 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 6.1 Cg_exo -72.61 77.07 2.25 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.512 2.141 . . . . 34.33 112.576 -175.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -176.29 74.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.962 -0.563 . . . . 74.25 109.939 173.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.5 ttt -153.15 147.02 25.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.964 -0.562 . . . . 70.55 109.841 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -86.18 134.84 33.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.968 0.413 . . . . 73.31 110.356 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.517 HG11 HD21 ' A' ' 72' ' ' LEU . 36.3 t -64.07 -29.89 48.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.535 . . . . 72.34 110.627 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.62 -29.27 69.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.812 -0.631 . . . . 71.33 110.855 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.23 -44.11 31.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 53.43 111.136 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.55 -36.35 70.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 120.808 -0.357 . . . . 73.04 110.808 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -61.39 -37.4 83.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.952 0.406 . . . . 74.32 110.513 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.406 ' HG2' ' HE3' ' A' ' 48' ' ' LYS . 36.4 tt0 -65.02 -41.55 95.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.202 -0.454 . . . . 73.2 110.974 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -67.46 -31.92 72.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.487 -0.324 . . . . 75.33 110.378 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.5 mt -72.83 -39.4 66.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.196 175.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -57.63 -38.37 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.699 -0.682 . . . . 73.43 110.569 177.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HE3' ' HG2' ' A' ' 44' ' ' GLU . 99.4 mttt -67.35 -5.23 13.52 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.839 -0.619 . . . . 74.34 112.345 -178.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -81.67 -42.96 19.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.867 0.365 . . . . 70.43 110.901 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.7 p -110.6 -25.47 9.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.292 -0.413 . . . . 72.54 111.647 -177.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.99 25.71 63.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.675 -0.774 . . . . 44.14 111.561 -176.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.3 m -142.84 138.29 30.21 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.46 -0.57 . . . . 62.25 109.46 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.5 m -59.75 138.14 57.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.916 0.388 . . . . 72.1 111.282 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.3 t -70.66 108.59 2.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 72.33 109.87 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -139.64 -32.47 0.64 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.076 -0.511 . . . . 54.14 111.325 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.8 p -81.09 -59.85 2.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.867 0.365 . . . . 64.13 111.115 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.5 ttm -67.22 120.5 13.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 64.54 110.573 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.511 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -89.2 140.23 29.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.3 -0.409 . . . . 73.3 111.319 -175.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.7 mt -113.64 118.1 33.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.975 -0.557 . . . . 74.14 109.588 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -109.78 135.32 50.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.942 0.401 . . . . 65.41 111.418 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.672 ' HB3' ' HA ' ' A' ' 70' ' ' ALA . 65.9 tp -101.79 109.21 20.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.481 -0.781 . . . . 74.2 109.759 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.456 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 63.2 m-85 -110.15 133.47 53.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.206 0.527 . . . . 74.11 111.795 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.807 ' HB3' ' HB2' ' A' ' 67' ' ' SER . 6.8 t70 -86.95 118.22 26.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.331 -0.849 . . . . 74.35 109.587 174.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 70.08 -63.73 0.38 Allowed 'General case' 0 C--O 1.235 0.291 0 O-C-N 124.211 0.944 . . . . 62.11 110.817 -177.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.7 m -164.79 -65.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.89 -0.596 . . . . 71.1 111.237 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.0 -13.68 52.02 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.566 -0.826 . . . . 55.5 114.104 -170.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.807 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 15.7 m -74.4 106.32 5.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.237 0.519 . . . . 75.13 110.601 -178.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -82.21 89.95 6.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.033 0.444 . . . . 61.01 109.91 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.1 m -111.27 40.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.929 -0.578 . . . . 75.32 110.869 -175.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.672 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -70.26 93.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.838 -0.619 . . . . 62.24 111.388 -177.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.5 p -146.23 119.05 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.965 -0.561 . . . . 73.14 110.202 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.517 HD21 HG11 ' A' ' 39' ' ' VAL . 59.9 tp -146.24 119.32 8.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.074 -0.512 . . . . 74.31 110.169 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -122.31 -24.05 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.277 -0.42 . . . . 73.54 110.861 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.725 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -96.06 52.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.074 0.464 . . . . 55.55 111.096 -178.501 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.411 ' HA ' ' HB ' ' A' ' 39' ' ' VAL . 3.4 m-20 -57.65 -38.85 75.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.447 0.642 . . . . 54.51 110.885 177.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 p -90.35 21.73 3.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.702 -0.681 . . . . 64.44 111.564 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.725 ' HB2' ' HB2' ' A' ' 74' ' ' ASP . 13.9 mmt180 -125.16 154.8 71.72 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.18 -0.464 . . . . 73.3 110.531 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.563 ' O ' ' HD1' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -71.59 121.59 7.83 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.563 2.175 . . . . 71.22 112.211 178.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -53.94 -19.8 5.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.094 -0.503 . . . . 74.33 111.756 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.41 -31.83 77.82 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.005 -0.616 . . . . 73.11 113.481 -177.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . 0.563 ' HD1' ' O ' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -83.69 -13.33 54.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.43 0.615 . . . . 74.12 110.265 -177.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -77.83 -23.98 48.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.8 -0.636 . . . . 71.45 110.482 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m 64.79 90.78 0.08 OUTLIER Pre-proline 0 C--O 1.234 0.246 0 CA-C-N 115.839 -0.619 . . . . 74.22 110.793 -176.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.26 164.42 26.74 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.666 2.244 . . . . 73.33 112.579 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -73.81 -68.7 0.49 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.964 -0.562 . . . . 72.21 110.266 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -174.07 -68.63 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.231 0.539 . . . . 72.14 109.981 175.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.59 97.04 0.2 Allowed Glycine 0 N--CA 1.439 -1.16 0 C-N-CA 120.679 -0.772 . . . . 65.22 112.515 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -81.05 163.14 23.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.803 0.335 . . . . 74.04 110.209 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.456 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 23.0 mmt180 -95.38 98.54 10.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.11 -0.495 . . . . 74.1 110.575 177.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.516 ' HB2' HD13 ' A' ' 19' ' ' ILE . 91.2 mt -85.15 83.79 7.9 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.881 -0.785 . . . . 72.31 108.881 175.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -87.83 100.64 13.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.381 -0.827 . . . . 72.51 110.003 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 72.2 mt -69.02 115.34 7.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.304 -0.862 . . . . 75.03 110.274 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.511 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 43.9 mm -83.03 102.63 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.98 -0.555 . . . . 72.21 109.503 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 13.0 m-20 -70.27 88.52 0.63 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.918 -0.583 . . . . 74.4 110.441 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -83.95 12.38 6.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.558 -0.746 . . . . 73.43 109.935 178.822 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -113.67 93.5 28.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.333 -0.849 . . . . 70.22 109.762 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 C--O 1.246 0.915 0 C-N-CA 123.187 2.591 . . . . 70.44 111.919 -178.616 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 CA--C 1.52 -0.205 0 N-CA-C 109.936 -0.394 . . . . 72.31 109.936 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.0 m -155.52 165.93 35.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.155 -0.475 . . . . 52.51 109.863 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.65 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 19.3 m -92.17 126.31 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.84 -0.43 . . . . 62.13 109.84 176.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -90.43 89.15 7.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.128 0.489 . . . . 45.11 110.931 -174.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -88.75 108.12 19.32 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.026 -0.534 . . . . 75.21 110.064 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -79.76 125.23 29.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.873 0.368 . . . . 71.21 110.775 -174.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.467 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 65.7 mt -85.5 121.93 37.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.107 -0.497 . . . . 74.12 110.294 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 91' ' ' HIS . 21.2 m -111.21 105.5 14.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.068 0.461 . . . . 72.52 109.887 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 9.6 t-160 -82.53 147.99 28.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.005 -0.543 . . . . 73.43 109.669 -177.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.8 -63.93 1.07 Allowed 'General case' 0 C--O 1.233 0.209 0 N-CA-C 111.674 0.25 . . . . 65.11 111.674 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -64.15 -48.03 77.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 74.23 110.837 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 8.4 mp -88.02 91.63 8.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.349 -0.612 . . . . 72.41 109.349 175.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -64.81 -39.04 92.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.583 -0.735 . . . . 72.13 112.289 -173.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.5 m -97.89 79.93 2.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.198 0.523 . . . . 61.42 110.611 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 29' ' ' ALA . 35.7 t80 -98.29 95.16 7.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.882 -0.784 . . . . 62.24 108.882 177.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.9 m -85.45 79.19 9.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.949 -0.568 . . . . 73.25 111.12 -176.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . . . -159.9 112.84 2.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.803 -0.635 . . . . 53.51 110.805 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -94.51 130.73 40.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.708 -0.478 . . . . 65.32 109.708 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.421 ' HB1' ' HE2' ' A' ' 33' ' ' PHE . . . -86.93 87.39 7.45 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.493 -0.558 . . . . 73.44 109.493 177.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.65 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 8.5 ptp180 -88.71 114.1 24.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.391 0.615 . . . . 73.14 110.696 -177.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.421 ' HE2' ' HB1' ' A' ' 31' ' ' ALA . 96.0 m-85 -124.12 161.59 25.31 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.698 -0.683 . . . . 71.21 109.798 177.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.461 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 19.6 m -55.65 135.63 71.44 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.213 -0.448 . . . . 74.05 110.728 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 37.3 Cg_exo -61.57 -12.8 26.26 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.885 2.39 . . . . 65.31 112.328 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 78' ' ' PRO . 69.6 mt-30 -88.2 -3.52 58.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.992 -0.549 . . . . 73.5 111.058 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.7 ttt -83.82 139.89 32.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.213 -0.449 . . . . 73.52 111.037 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.438 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 9.4 p -101.56 162.34 12.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.709 -0.678 . . . . 71.35 110.12 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.515 ' O ' HG12 ' A' ' 42' ' ' VAL . 8.7 p -69.38 -13.93 17.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 121.415 0.626 . . . . 73.4 110.494 -177.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.09 -33.29 68.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.769 -0.651 . . . . 54.1 110.84 176.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.43 8.43 5.13 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.604 0.594 . . . . 75.23 112.604 -171.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 39' ' ' VAL . 7.4 p -122.53 -12.08 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.681 -0.408 . . . . 75.34 110.81 177.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -62.54 -58.83 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.245 0.545 . . . . 65.55 111.305 -175.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -73.19 -26.72 61.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.552 -0.749 . . . . 70.34 110.392 -177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 30.5 ttmt -66.06 -43.59 87.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.286 -0.87 . . . . 74.11 110.692 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.5 mt -74.88 -33.52 62.08 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.964 0.412 . . . . 64.42 110.514 177.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -58.45 -46.58 86.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.705 -0.679 . . . . 62.35 111.211 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -82.46 0.42 42.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.83 0.348 . . . . 75.33 111.294 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.532 ' HG2' ' SG ' ' A' ' 50' ' ' CYS . 56.3 tttp -88.05 -61.05 1.8 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.361 -0.381 . . . . 75.55 110.965 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.532 ' SG ' ' HG2' ' A' ' 49' ' ' LYS . 63.3 m -112.54 6.58 18.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.724 0.268 . . . . 73.23 111.724 -174.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.12 48.58 85.41 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.74 -0.743 . . . . 40.43 112.211 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.6 t -133.25 158.99 41.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.707 0.289 . . . . 65.02 110.421 -175.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.0 m -96.18 149.19 21.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.117 -0.492 . . . . 74.24 109.997 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.9 m -65.5 -16.21 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 73.03 111.539 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -81.41 -19.14 43.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.399 0.619 . . . . 63.42 109.997 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 m -91.18 2.39 56.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.896 -0.593 . . . . 52.42 110.271 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 ttt -122.5 97.84 5.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.559 -0.746 . . . . 71.12 109.759 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.542 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -72.93 111.44 8.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.14 0.495 . . . . 74.25 111.198 -176.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.412 ' CD2' HG12 ' A' ' 92' ' ' ILE . 95.6 mt -113.6 107.52 15.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.705 -0.679 . . . . 65.22 110.82 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.665 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 51.8 mt-10 -91.73 95.44 9.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.027 0.442 . . . . 74.23 110.156 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.519 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 65.2 tp -79.56 100.44 7.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.767 -0.651 . . . . 74.41 110.823 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.581 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 24.1 m-85 -90.75 160.3 15.88 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.652 -0.499 . . . . 64.25 109.652 176.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -61.51 -47.41 85.72 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.42 -0.585 . . . . 64.31 109.42 171.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.744 ' HA ' ' HG2' ' A' ' 89' ' ' ARG . 31.3 t70 161.22 -34.86 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 125.029 1.331 . . . . 71.03 107.74 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -76.01 -42.21 48.71 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.585 -1.188 . . . . 62.34 110.388 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.68 -1.74 0.62 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.197 -1.002 . . . . 75.11 113.131 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.9 m -88.56 125.1 34.63 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.566 -0.531 . . . . 55.14 109.566 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 24.2 pttm -69.36 123.74 22.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.361 0.6 . . . . 74.5 110.218 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -109.23 15.79 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.808 -0.633 . . . . 71.05 110.593 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -80.25 77.77 6.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.605 -0.725 . . . . 75.22 111.133 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.6 -30.42 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.879 -0.6 . . . . 74.41 109.519 174.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 54.02 72.75 0.43 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 114.984 -1.007 . . . . 55.3 111.465 176.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 t -133.67 1.6 3.38 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.879 0.847 . . . . 52.41 108.786 171.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -116.78 23.54 11.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.745 -1.116 . . . . 61.35 109.829 -173.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.488 ' HA ' HG12 ' A' ' 39' ' ' VAL . 7.0 p-10 -54.26 -43.53 71.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.476 -0.784 . . . . 71.44 111.993 -175.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.13 26.83 9.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.084 -0.507 . . . . 54.35 110.834 -177.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -130.34 154.66 81.54 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 62.41 110.501 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.441 ' HB3' ' HA ' ' A' ' 36' ' ' GLN . 37.4 Cg_endo -67.56 129.53 20.25 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.5 2.134 . . . . 70.12 112.093 177.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.538 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 56.6 tp -63.86 -32.15 73.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 64.15 111.166 -178.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.2 -18.65 69.46 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 116.205 -0.452 . . . . 64.4 112.783 -177.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -76.63 -26.21 54.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.104 0.478 . . . . 74.22 110.279 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -75.21 -26.71 59.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 64.34 110.748 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 t 64.19 71.0 0.62 Allowed Pre-proline 0 CA--C 1.532 0.28 0 CA-C-O 121.343 0.592 . . . . 64.31 109.843 -174.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.538 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 66.0 Cg_endo -98.18 -172.11 0.15 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.435 2.757 . . . . 74.45 113.345 -176.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -89.18 130.56 35.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.522 -0.763 . . . . 74.31 109.829 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -83.9 91.64 7.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.239 0.542 . . . . 72.54 110.783 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 142.01 50.42 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.66 -0.781 . . . . 73.23 112.762 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -77.05 167.48 21.73 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.751 0.31 . . . . 73.41 110.746 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.744 ' HG2' ' HA ' ' A' ' 64' ' ' ASP . 13.4 mmt180 -111.62 110.78 21.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.208 -0.451 . . . . 63.04 111.07 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 19' ' ' ILE . 94.2 mt -90.23 86.87 6.63 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.918 -0.401 . . . . 72.32 109.918 174.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.665 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 11.3 t-80 -81.18 104.94 12.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.993 0.425 . . . . 55.51 110.444 -177.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.412 HG12 ' CD2' ' A' ' 59' ' ' LEU . 59.7 mt -88.07 112.5 23.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.601 -0.727 . . . . 42.31 110.147 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.542 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 49.0 mm -71.28 126.42 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.546 -0.538 . . . . 64.54 109.546 176.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.1 93.04 6.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.075 0.464 . . . . 53.32 111.099 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.43 ' H ' HD23 ' A' ' 95' ' ' LEU . 2.5 pt? -135.06 13.22 3.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.66 -0.7 . . . . 64.03 110.073 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.471 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 31.4 t70 -83.31 115.67 60.38 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.937 -0.574 . . . . 72.5 110.693 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 8.0 Cg_exo . . . . . 0 C--O 1.251 1.155 0 C-N-CA 123.415 2.743 . . . . 72.55 112.408 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 . . . . . 0 CA--C 1.514 -0.424 0 N-CA-C 109.248 -0.649 . . . . 55.31 109.248 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 m -140.71 140.02 34.81 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.72 0.295 . . . . 75.4 110.635 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.5 m -92.76 113.9 28.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.363 0.601 . . . . 63.02 109.408 173.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -84.63 90.39 7.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.787 -0.642 . . . . 55.23 110.075 -176.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.5 mt -80.49 126.58 31.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.696 -0.684 . . . . 75.32 110.412 -177.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -99.01 101.38 12.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.81 0.338 . . . . 73.21 110.736 176.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.433 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 73.7 mt -75.18 121.2 26.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.922 -0.581 . . . . 71.0 110.042 178.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.9 m -120.89 106.69 11.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.81 -0.632 . . . . 73.52 109.728 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.414 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 5.3 t-160 -88.57 139.01 30.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.265 -0.425 . . . . 71.42 110.185 -175.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.52 -71.08 0.34 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.32 0.489 . . . . 72.23 112.32 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.467 ' H ' ' HB3' ' A' ' 94' ' ' ASP . 3.3 t-20 -55.39 -48.86 73.68 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.758 0.313 . . . . 62.54 110.765 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.414 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 96.7 mt -90.24 92.61 9.0 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.535 -0.542 . . . . 71.35 109.535 173.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -70.57 -32.76 70.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.929 -0.578 . . . . 54.24 111.486 -174.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.6 m -89.23 19.0 4.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.276 -0.42 . . . . 72.31 111.31 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -85.52 100.36 11.86 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.656 -0.498 . . . . 71.4 109.656 177.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p -103.58 123.01 46.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.994 -0.548 . . . . 71.34 110.879 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -150.49 101.42 2.95 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.11 -0.495 . . . . 73.42 111.032 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -101.33 105.79 16.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.663 0.744 . . . . 74.35 109.799 174.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.54 137.07 42.94 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.599 -0.728 . . . . 44.43 110.887 -175.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -105.88 116.08 31.33 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.136 -0.484 . . . . 65.01 110.24 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -117.25 171.63 7.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.971 -0.559 . . . . 73.3 110.708 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 m -74.74 137.86 73.64 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.452 177.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.14 163.46 31.5 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.516 2.144 . . . . 73.34 111.756 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.675 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 45.1 mt-30 66.79 24.42 9.87 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.877 -0.601 . . . . 74.21 110.62 -177.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.4 ttt -76.61 139.07 40.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.462 -0.79 . . . . 75.32 110.156 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -85.42 142.45 29.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.16 0.505 . . . . 71.44 110.76 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.609 ' O ' HG12 ' A' ' 42' ' ' VAL . 38.9 t -71.04 -24.26 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.87 -0.605 . . . . 74.51 111.12 -176.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 32.6 tt0 -62.07 -18.55 61.05 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.929 0.395 . . . . 73.34 110.975 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.91 89.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 75.42 111.046 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.0 p -80.01 -18.49 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.106 0.479 . . . . 74.43 110.255 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.58 ' O ' ' HB2' ' A' ' 47' ' ' TRP . 55.4 mmtt -64.85 -28.26 69.43 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.655 -0.702 . . . . 52.2 110.597 177.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -94.95 -33.18 12.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 54.34 110.497 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 1.037 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -62.55 -38.56 90.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.115 -0.493 . . . . 74.32 111.351 -174.751 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.436 ' HB2' HG11 ' A' ' 54' ' ' VAL . 94.1 mt -96.19 0.87 51.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.132 0.492 . . . . 72.24 110.823 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.58 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 5.7 t90 -79.91 3.81 18.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.959 -0.564 . . . . 72.05 110.511 -175.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -102.29 -1.7 30.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 50.44 110.534 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -99.78 -47.5 5.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.909 0.385 . . . . 75.14 110.238 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.9 p -136.47 120.27 17.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.059 -0.518 . . . . 54.22 110.859 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -82.48 6.51 68.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.089 -0.576 . . . . 74.32 112.153 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -87.79 14.0 9.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.856 0.36 . . . . 73.43 110.316 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.9 t 71.87 145.26 0.07 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.537 -0.756 . . . . 65.04 110.252 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.436 HG11 ' HB2' ' A' ' 46' ' ' LEU . 10.5 m -73.12 85.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.906 0.86 . . . . 71.42 110.894 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -127.92 -45.84 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.041 -0.981 . . . . 74.52 109.749 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 p -79.67 1.08 27.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.721 -0.672 . . . . 74.25 110.553 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.612 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 43.0 ttp -141.19 39.88 1.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.396 -0.965 . . . . 70.2 108.396 177.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.13 165.71 23.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.094 -0.957 . . . . 52.24 111.845 -175.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.437 ' CD2' HG12 ' A' ' 92' ' ' ILE . 80.3 mt -104.38 111.18 23.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.641 -0.709 . . . . 73.32 111.097 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.622 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 11.9 mm-40 -81.19 94.63 6.71 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.474 -0.565 . . . . 71.31 109.474 172.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.432 HD13 HD23 ' A' ' 90' ' ' LEU . 42.9 tp -83.4 108.98 16.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.182 -0.463 . . . . 72.44 110.34 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.551 ' HE1' ' HE2' ' A' ' 68' ' ' LYS . 58.9 m-85 -105.16 84.95 2.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.744 -0.662 . . . . 73.12 110.605 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -84.78 164.61 18.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.127 -0.488 . . . . 71.34 110.461 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.3 t70 62.24 21.16 12.28 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.503 -0.771 . . . . 65.41 110.126 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.4 m 78.06 -41.09 0.32 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.085 -0.961 . . . . 73.05 113.074 174.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.51 13.15 5.14 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 119.597 -1.287 . . . . 21.35 114.507 -173.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.2 m -119.75 138.0 53.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.756 0.778 . . . . 61.44 110.903 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.551 ' HE2' ' HE1' ' A' ' 62' ' ' TYR . 15.5 ptpt -92.29 129.67 38.17 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.619 -0.512 . . . . 74.32 109.619 176.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.5 m -122.27 16.04 5.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.224 -0.444 . . . . 73.33 111.548 -174.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.18 60.39 3.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.189 0.519 . . . . 64.45 110.928 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 p -97.81 -14.12 7.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.694 -0.685 . . . . 70.14 110.269 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 59.09 71.62 0.57 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.368 -0.833 . . . . 72.34 111.813 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 p -133.5 18.24 3.96 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.163 -1.051 . . . . 64.41 108.163 173.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.586 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -148.49 23.59 1.01 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.079 -1.419 . . . . 53.21 110.48 -165.252 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.52 -34.55 74.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.465 -0.789 . . . . 63.34 111.585 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.6 m -126.09 21.71 7.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.005 0.431 . . . . 72.12 110.071 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.586 ' CG ' ' HA ' ' A' ' 74' ' ' ASP . 26.8 mmm180 -88.51 134.4 34.34 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.888 -0.597 . . . . 72.43 110.709 -177.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -65.71 114.56 2.98 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.352 2.035 . . . . 51.25 111.684 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.675 ' H ' ' HA ' ' A' ' 36' ' ' GLN . 93.6 mt -61.2 -16.34 43.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 75.14 111.889 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.533 ' H ' ' HG2' ' A' ' 36' ' ' GLN . . . -70.82 -34.16 66.1 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.895 -0.669 . . . . 64.01 111.994 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -71.93 -24.95 61.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.352 0.596 . . . . 73.02 110.232 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -91.36 -2.56 57.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.576 -0.738 . . . . 63.3 110.186 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 17.7 m 69.71 111.09 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.573 -0.74 . . . . 54.03 110.09 -174.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 83' ' ' SER . 18.1 Cg_endo -58.97 139.99 93.31 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.874 2.383 . . . . 73.22 113.189 -174.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -101.48 142.61 32.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.863 -0.791 . . . . 55.13 108.863 175.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -89.55 10.0 24.57 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.402 0.519 . . . . 64.43 112.402 -172.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -163.55 67.81 0.22 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 119.813 -1.184 . . . . 31.15 113.513 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.423 ' HB3' HD11 ' A' ' 61' ' ' LEU . 90.7 m-85 -65.64 133.96 52.24 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.684 -0.487 . . . . 64.54 109.684 175.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 62' ' ' TYR . 29.1 mmt180 -104.78 101.34 10.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.068 0.461 . . . . 74.24 111.416 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.432 HD23 HD13 ' A' ' 61' ' ' LEU . 88.9 mt -93.1 95.44 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.743 -0.662 . . . . 71.23 110.441 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.622 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 10.5 t-80 -90.2 100.55 13.36 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.781 -0.452 . . . . 71.13 109.781 177.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.437 HG12 ' CD2' ' A' ' 59' ' ' LEU . 52.4 mt -73.42 115.6 14.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.796 -0.638 . . . . 63.43 110.331 -178.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.612 ' O ' ' HA ' ' A' ' 57' ' ' MET . 46.8 mm -72.66 91.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.23 -0.656 . . . . 74.44 109.23 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.467 ' HB3' ' H ' ' A' ' 23' ' ' ASN . 7.3 t70 -95.42 83.78 3.89 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.716 -0.675 . . . . 51.1 109.979 -176.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 94.4 mt -119.02 -9.56 10.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.34 -0.845 . . . . 64.34 110.462 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 13.2 t70 -72.99 119.71 77.02 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 75.55 110.447 -177.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 22.8 Cg_exo . . . . . 0 C--O 1.251 1.157 0 C-N-CA 123.159 2.573 . . . . 75.33 112.54 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 t70 . . . . . 0 N--CA 1.466 0.367 0 CA-C-O 121.597 0.713 . . . . 74.34 109.603 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 33' ' ' PHE . 68.2 p -72.46 129.07 37.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.283 -0.871 . . . . 42.13 111.375 -175.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.607 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 18.5 m -75.05 135.84 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.845 -0.616 . . . . 73.01 110.184 177.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.419 ' HE2' ' CG ' ' A' ' 30' ' ' ASP . 18.2 t-160 -94.22 106.74 18.72 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.953 -0.567 . . . . 71.05 110.403 -176.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.68 HD21 ' HD2' ' A' ' 85' ' ' PHE . 94.8 mt -107.66 157.87 17.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.833 -0.622 . . . . 74.42 110.68 -178.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.801 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 83.0 m-70 -125.71 100.66 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.138 -0.483 . . . . 73.11 109.866 177.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.598 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 61.5 mt -84.35 98.38 5.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.212 0.53 . . . . 71.32 109.889 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.8 p -88.22 121.27 30.43 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.5 -0.773 . . . . 72.35 111.539 -175.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -91.34 132.51 36.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.167 -0.679 . . . . 70.52 109.167 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.71 -37.89 22.12 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.659 0.244 . . . . 65.24 111.659 -175.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . 0.442 ' HB2' ' CG ' ' A' ' 94' ' ' ASP . 16.4 t-20 -56.47 -48.36 77.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.373 0.606 . . . . 70.02 109.779 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mp -121.63 96.05 4.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.527 -0.761 . . . . 75.43 109.076 173.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -67.18 -20.67 65.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.105 0.478 . . . . 72.11 110.969 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.5 t -77.04 -4.92 46.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.064 -0.516 . . . . 71.14 110.209 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -104.98 91.79 3.96 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.221 0.534 . . . . 74.43 110.105 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.7 t -108.68 109.56 20.77 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.993 -0.743 . . . . 25.02 108.993 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.598 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -77.05 100.7 5.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.11 0.481 . . . . 63.23 110.234 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.419 ' CG ' ' HE2' ' A' ' 16' ' ' HIS . 11.6 t70 -70.99 110.74 5.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.423 -0.808 . . . . 61.44 109.763 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.03 155.24 29.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.266 0.555 . . . . 70.43 111.724 -172.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.607 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 18.3 ptt180 -148.32 120.26 8.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.333 -0.848 . . . . 62.23 109.81 177.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 14' ' ' SER . 94.0 m-85 -133.67 -170.67 2.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.048 -0.523 . . . . 62.44 110.928 -176.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.8 p -94.71 149.7 36.85 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.134 -0.485 . . . . 64.54 110.569 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.463 ' HB3' ' HA3' ' A' ' 80' ' ' GLY . 30.3 Cg_exo -63.32 -15.92 51.27 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.756 2.304 . . . . 65.13 112.622 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -77.0 -14.46 59.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.697 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.1 ttt -67.08 125.98 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.115 0.483 . . . . 62.22 110.958 -178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.1 p -107.15 168.12 9.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.689 -0.687 . . . . 60.35 109.988 176.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.921 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 51.1 t -70.1 -32.68 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.593 -0.521 . . . . 73.31 109.593 176.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.631 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . 33.3 tt0 -56.17 -44.74 79.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.821 -0.627 . . . . 60.01 110.148 174.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.48 -46.9 87.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.478 -0.783 . . . . 60.44 111.957 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.0 p -71.04 -39.89 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 120.907 -0.317 . . . . 73.25 111.666 -176.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.631 ' HE2' ' HA ' ' A' ' 40' ' ' GLU . 47.5 mtmt -59.11 -45.66 90.31 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.33 0.586 . . . . 75.22 110.247 178.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.4 -35.95 71.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.335 -0.848 . . . . 75.25 110.951 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -67.64 -33.14 74.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.121 -0.49 . . . . 71.41 111.01 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.823 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 94.9 mt -77.68 -28.28 51.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.167 0.508 . . . . 52.23 110.224 177.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -70.07 -45.99 65.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.756 -0.656 . . . . 70.54 109.97 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 ptmp? -77.14 -7.46 55.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 72.2 110.6 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.683 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -77.3 -56.03 4.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 51.21 110.51 177.383 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.1 t -151.04 -59.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.314 -0.403 . . . . 64.33 110.365 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.27 30.52 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.222 -0.99 . . . . 65.23 112.555 178.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.823 ' HB ' ' HB3' ' A' ' 46' ' ' LEU . 24.4 m -91.11 84.47 5.71 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.474 0.654 . . . . 74.52 110.059 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.2 m -77.49 -9.64 59.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.298 -0.865 . . . . 51.21 111.143 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.1 t 64.6 80.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.632 -0.713 . . . . 70.2 109.438 -174.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -108.13 -75.11 0.64 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.673 -0.694 . . . . 75.24 111.118 -175.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 t -97.6 7.0 47.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.235 0.54 . . . . 54.34 110.175 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.0 ttp -84.16 94.55 8.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.841 -0.618 . . . . 61.12 109.831 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -74.74 128.72 36.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.91 -0.586 . . . . 72.25 110.693 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.0 mt -114.88 104.64 12.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.104 -0.498 . . . . 55.24 110.437 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.835 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 50.4 mt-10 -79.49 128.18 33.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.361 -0.382 . . . . 62.13 110.13 176.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.6 tp -91.36 101.51 14.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.304 -0.407 . . . . 74.34 110.281 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.577 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 56.3 m-85 -99.63 138.57 36.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.038 -0.528 . . . . 74.35 110.302 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -88.31 48.88 1.7 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.591 0.71 . . . . 53.12 109.475 175.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.5 t70 69.92 65.56 0.23 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 114.551 -1.204 . . . . 75.23 111.147 -176.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.5 m 56.75 21.75 6.26 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.073 -0.967 . . . . 51.31 113.376 173.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.82 -65.4 1.14 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.321 -0.942 . . . . 44.21 111.571 177.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.2 p -141.65 173.72 11.24 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.616 -0.513 . . . . 74.13 109.616 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.455 ' HE2' ' OH ' ' A' ' 62' ' ' TYR . 73.2 mttt -96.28 90.58 5.51 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.778 -0.453 . . . . 73.31 109.778 174.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.3 m -84.89 41.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.589 0.709 . . . . 70.42 110.526 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.0 80.3 4.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.393 -0.821 . . . . 15.32 111.569 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.99 104.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.409 -0.814 . . . . 52.21 109.099 171.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 39' ' ' VAL . 57.8 tp -119.48 96.82 5.36 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.608 -0.724 . . . . 65.3 110.905 -174.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.5 m -89.85 -50.31 6.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.997 -0.547 . . . . 71.12 110.713 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -102.24 100.72 10.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 72.53 110.115 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.921 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 11.0 p-10 -111.31 -16.3 13.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.012 0.434 . . . . 72.53 110.448 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 35.2 t -83.27 -18.43 39.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.549 0.69 . . . . 75.22 109.676 175.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.0 mmm-85 -88.76 143.98 32.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.243 -0.889 . . . . 73.41 109.757 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.97 115.61 3.05 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.405 2.07 . . . . 75.13 111.372 174.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.06 -36.0 74.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 72.32 111.328 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 35' ' ' PRO . . . -67.44 -17.29 68.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.148 -0.549 . . . . 71.33 113.12 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -70.16 -31.93 69.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.142 0.496 . . . . 72.3 110.077 178.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -91.39 -52.57 4.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.732 -0.667 . . . . 74.02 109.772 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.3 m -155.29 129.17 4.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.782 -0.645 . . . . 54.23 110.072 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.82 112.89 1.2 Allowed 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.233 1.955 . . . . 75.5 111.215 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.68 ' HD2' HD21 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -74.44 90.82 2.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.906 0.86 . . . . 72.13 110.896 -177.816 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -107.9 129.05 55.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.571 -1.195 . . . . 73.41 110.67 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.66 -6.34 65.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.045 -0.597 . . . . 63.11 113.436 173.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -61.08 132.51 54.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.455 0.645 . . . . 71.54 111.085 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.801 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 73.5 mtt180 -108.19 118.61 37.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.205 -0.907 . . . . 72.43 110.505 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.54 102.44 13.52 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.064 -0.717 . . . . 74.14 109.064 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.835 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 9.3 t-80 -88.39 102.72 15.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.908 0.385 . . . . 74.01 110.312 -177.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.7 mt -77.49 111.23 14.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.52 -0.764 . . . . 62.31 110.299 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.551 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 45.8 mm -74.78 106.2 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.064 0.459 . . . . 73.2 110.119 177.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.442 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 15.1 m-20 -85.18 88.16 7.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.992 -0.549 . . . . 73.4 110.897 -177.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 pp -96.93 4.49 51.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.466 -0.788 . . . . 74.23 109.256 171.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 19.9 t70 -100.84 119.69 57.62 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 114.555 -1.202 . . . . 55.04 109.95 -179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 15.0 Cg_exo . . . . . 0 C--O 1.249 1.031 0 C-N-CA 122.776 2.317 . . . . 54.42 111.942 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 N--CA 1.45 -0.425 0 N-CA-C 109.166 -0.679 . . . . 71.53 109.166 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.689 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 68.4 m -159.69 145.33 15.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.669 -0.696 . . . . 52.35 110.42 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.592 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 26.3 m -92.3 135.66 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.379 -0.373 . . . . 72.33 110.513 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -78.01 83.64 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.973 0.416 . . . . 63.32 111.413 -174.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.555 HD12 ' HD2' ' A' ' 33' ' ' PHE . 93.4 mt -81.53 107.67 14.48 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.116 -0.493 . . . . 64.25 109.856 175.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -91.32 113.51 25.79 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.32 -0.4 . . . . 74.43 110.828 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.441 HD13 HD12 ' A' ' 90' ' ' LEU . 39.9 mm -74.62 113.4 13.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.596 -0.729 . . . . 52.03 109.739 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.6 m -118.92 113.73 21.49 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.864 0.364 . . . . 52.13 110.765 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.462 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 3.0 m-70 -84.08 162.32 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.196 -0.457 . . . . 73.13 110.338 176.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.38 -36.54 10.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.95 0.405 . . . . 44.21 110.092 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -71.83 -50.25 31.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.791 -0.64 . . . . 72.41 110.084 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 24' ' ' LEU . 5.7 mp -81.08 107.03 13.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.669 -0.696 . . . . 72.41 109.841 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -68.8 -33.61 74.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 72.15 111.522 -176.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.0 t -112.62 88.66 2.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.061 0.457 . . . . 75.4 109.896 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -134.63 87.05 2.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.099 -0.5 . . . . 74.2 109.989 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 m -93.21 99.25 11.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.739 -0.664 . . . . 63.51 110.112 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.92 106.0 7.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.147 -0.479 . . . . 73.23 111.16 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -87.83 116.18 25.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.83 -0.623 . . . . 71.44 109.419 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.6 78.65 1.39 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.491 -0.559 . . . . 71.1 109.491 176.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.592 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 22.0 ptt-85 -81.97 108.6 15.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.477 0.656 . . . . 71.11 110.805 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.555 ' HD2' HD12 ' A' ' 17' ' ' LEU . 96.7 m-85 -97.4 155.84 16.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.275 -0.875 . . . . 75.41 109.963 177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.448 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 15.9 m -62.46 131.84 94.08 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.048 -0.524 . . . . 61.02 110.417 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.689 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 1.5 Cg_endo -76.87 63.68 7.55 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.633 2.222 . . . . 34.33 111.802 -176.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.615 ' HA ' ' H ' ' A' ' 80' ' ' GLY . 7.4 tt0 -160.49 18.58 0.14 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.676 -0.693 . . . . 74.25 109.306 173.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.4 ttt -101.14 146.83 26.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.205 -0.907 . . . . 70.55 109.473 -176.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.7 m -87.33 147.48 25.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.779 0.323 . . . . 73.31 110.737 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.437 HG12 ' HE3' ' A' ' 43' ' ' LYS . 22.8 t -64.74 -35.59 75.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 72.34 110.959 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.8 -28.71 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.33 111.463 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.65 86.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 53.43 111.409 -176.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 39' ' ' VAL . 13.9 p -72.33 -30.41 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.99 0.424 . . . . 73.04 109.988 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HE3' HG12 ' A' ' 39' ' ' VAL . 97.0 mttt -65.11 -32.81 74.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 74.32 110.814 176.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.747 ' HG2' ' HE2' ' A' ' 48' ' ' LYS . 36.7 tt0 -58.65 -43.51 89.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.856 -0.611 . . . . 73.2 111.305 -176.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -74.87 -31.29 61.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.71 0.29 . . . . 75.33 110.683 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.7 -35.14 70.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.132 0.491 . . . . 72.13 110.074 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -68.94 -48.82 62.28 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.608 -0.724 . . . . 73.43 110.461 176.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.747 ' HE2' ' HG2' ' A' ' 44' ' ' GLU . 57.4 mtmt -77.07 2.58 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.504 -0.316 . . . . 74.34 111.344 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -73.4 -57.41 4.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.961 0.41 . . . . 70.43 110.462 176.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.5 p -109.08 -7.76 15.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.253 -0.43 . . . . 72.54 111.038 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.85 26.91 57.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 44.14 111.378 -177.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.0 m -130.81 139.94 50.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.853 -0.425 . . . . 62.25 109.853 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.9 m -63.96 137.11 57.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.263 -0.273 . . . . 72.1 110.263 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.6 t -72.51 86.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.206 0.527 . . . . 72.33 110.414 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -127.74 -51.18 1.36 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.741 -0.663 . . . . 54.14 110.549 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.491 ' HB3' ' HG ' ' A' ' 95' ' ' LEU . 12.2 m -59.42 -49.59 77.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.251 -0.432 . . . . 64.13 110.813 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.5 ttm -77.84 100.13 6.21 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.532 -0.544 . . . . 64.54 109.532 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.23 116.59 17.07 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.027 -0.533 . . . . 73.3 111.335 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 78.1 mt -94.33 92.73 7.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.828 -0.623 . . . . 74.14 109.486 176.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 45.7 mt-10 -82.51 132.51 35.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.325 -0.398 . . . . 65.41 111.096 -176.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.5 tp -95.27 111.02 22.94 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.32 -0.622 . . . . 74.2 109.32 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.582 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 8.1 m-30 -103.99 127.52 51.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.781 0.324 . . . . 74.11 111.066 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.854 ' HB3' ' HB2' ' A' ' 67' ' ' SER . 11.6 t70 -83.94 103.83 13.52 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.26 -1.015 . . . . 74.35 108.26 169.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 28.4 t70 71.97 -64.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 124.222 0.952 . . . . 62.11 110.427 -175.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.3 m -179.63 -46.26 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.532 0.733 . . . . 71.1 111.225 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.63 -19.47 68.28 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.902 -0.666 . . . . 55.5 114.011 -172.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.854 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 17.8 m -104.59 106.61 17.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 117.075 0.437 . . . . 75.13 111.379 -177.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -80.36 88.42 5.57 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.069 -0.715 . . . . 61.01 109.069 175.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.7 m -85.77 100.28 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.877 0.846 . . . . 75.32 111.456 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.22 97.33 8.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.301 -0.863 . . . . 62.24 110.567 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 p -139.05 118.02 13.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.608 -0.724 . . . . 73.14 109.939 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.1 tp -124.31 14.05 8.93 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.8 -0.36 . . . . 74.31 111.257 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.0 m -70.09 -17.51 63.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.035 0.445 . . . . 73.54 111.158 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.489 ' HA ' ' HG3' ' A' ' 77' ' ' ARG . 5.2 m-20 -108.68 20.4 18.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 55.55 111.148 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.71 -43.62 96.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.039 0.447 . . . . 54.51 110.489 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.5 m -85.32 18.82 2.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.623 -0.717 . . . . 64.44 110.772 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.539 ' HE ' ' HA ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -119.38 151.52 51.43 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-O 120.685 0.278 . . . . 73.3 111.229 -173.302 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -69.04 129.06 17.66 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.02 1.814 . . . . 71.22 110.481 169.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.683 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 20.8 tp -56.49 -26.51 54.48 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.968 0.359 . . . . 74.33 111.968 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.615 ' H ' ' HA ' ' A' ' 36' ' ' GLN . . . -69.58 -29.16 71.57 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.826 -0.702 . . . . 73.11 112.459 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -72.9 -35.01 67.0 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.631 -0.507 . . . . 74.12 109.631 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -72.7 -34.77 67.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.642 -0.708 . . . . 71.45 110.966 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 t 65.3 94.15 0.05 OUTLIER Pre-proline 0 C--N 1.332 -0.157 0 CA-C-N 115.905 -0.589 . . . . 74.22 109.942 -175.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . 0.683 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 61.4 Cg_endo -90.58 -163.81 0.14 Allowed 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.064 2.509 . . . . 73.33 112.516 -177.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -103.07 -172.01 2.04 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.626 -0.509 . . . . 72.21 109.626 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -54.55 -42.65 71.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.104 0.478 . . . . 72.14 110.683 176.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.02 176.19 40.81 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 115.694 -0.685 . . . . 65.22 112.0 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -135.32 155.55 50.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.802 0.334 . . . . 74.04 110.305 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.582 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 17.0 mmt180 -100.48 106.34 17.88 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.893 -0.594 . . . . 74.1 110.106 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 19' ' ' ILE . 97.8 mt -90.2 97.96 11.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.99 -0.55 . . . . 72.31 110.132 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 27.2 t-80 -88.0 97.15 10.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.828 -0.624 . . . . 72.51 109.544 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.7 mt -82.12 113.8 21.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.675 -0.693 . . . . 75.03 110.789 -177.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.1 mm -74.94 104.4 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.377 -0.601 . . . . 72.21 109.377 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.462 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 2.5 m-20 -66.93 113.1 4.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.012 -0.54 . . . . 74.4 111.413 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.496 ' O ' ' HD3' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -84.79 9.94 12.78 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.706 -0.85 . . . . 73.43 108.706 174.309 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -105.89 91.12 4.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 114.934 -1.03 . . . . 70.22 108.66 174.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 95' ' ' LEU . 2.6 Cg_endo . . . . . 0 C--O 1.252 1.19 0 C-N-CA 123.428 2.752 . . . . 70.44 112.377 -173.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.467 0.409 0 CA-C-O 121.242 0.544 . . . . 63.3 111.229 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.9 p -66.31 98.63 0.48 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.581 -0.736 . . . . 73.32 111.712 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 30.4 m -75.58 137.94 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.333 -0.617 . . . . 64.52 109.333 172.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -98.12 96.91 8.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.09 0.471 . . . . 71.24 111.089 -176.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -94.42 112.76 24.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.54 -0.754 . . . . 74.05 109.305 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -86.04 117.54 24.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.124 0.488 . . . . 71.41 110.255 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 mm -94.6 129.2 45.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.458 -0.792 . . . . 73.11 110.39 -176.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -130.52 124.05 31.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.313 -0.403 . . . . 50.11 110.223 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.13 138.41 34.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 73.55 110.522 -178.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.63 -22.48 66.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.276 -0.42 . . . . 62.51 111.439 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -77.99 -26.44 48.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 53.23 111.186 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.3 mt -133.71 106.48 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.557 -0.292 . . . . 74.22 110.866 -173.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -73.98 -13.27 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 54.13 111.027 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -87.82 -7.48 57.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.023 0.44 . . . . 72.53 110.205 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -84.59 93.2 8.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.106 0.479 . . . . 65.41 111.014 -174.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 m -123.06 89.34 3.09 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.971 -0.751 . . . . 63.12 108.971 172.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.23 146.42 26.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.748 -0.66 . . . . 63.13 111.089 -174.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -102.8 117.34 34.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.077 -0.511 . . . . 64.32 109.999 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.16 132.65 56.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.224 -0.443 . . . . 45.33 110.356 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 18.3 ptt180 -112.63 147.3 37.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.887 0.375 . . . . 72.43 111.017 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.446 ' O ' HG22 ' A' ' 15' ' ' VAL . 15.4 t80 -160.75 -179.41 7.57 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.983 -0.747 . . . . 74.14 108.983 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.446 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 22.7 p -85.57 139.91 35.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 120.525 0.202 . . . . 62.11 110.818 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 16.6 Cg_exo -67.52 -17.51 48.62 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.306 2.671 . . . . 43.52 112.84 -176.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -82.36 17.4 1.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.013 0.435 . . . . 73.54 110.914 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.4 ttt -74.93 143.86 43.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.95 -0.568 . . . . 73.33 110.688 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 m -118.89 149.04 42.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.056 -0.52 . . . . 60.41 110.001 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.737 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 35.1 t -66.13 -31.4 53.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.378 -0.374 . . . . 65.13 110.355 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 36.1 tt0 -54.34 -45.69 72.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.056 0.455 . . . . 64.52 110.004 174.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.5 95.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.368 -0.833 . . . . 74.03 111.806 -175.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 39' ' ' VAL . 12.4 p -71.75 -31.81 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 120.715 -0.394 . . . . 53.31 110.867 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' NZ ' ' HB3' ' A' ' 43' ' ' LYS . 9.1 mtpm? -70.27 -41.5 73.35 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.165 -0.309 . . . . 74.22 110.165 177.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 56.8 mt-10 -59.76 -41.32 90.77 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.307 0.575 . . . . 74.14 109.581 174.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -62.83 -50.97 68.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.071 -0.968 . . . . 71.05 110.518 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.86 -40.76 97.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 72.0 111.153 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . 0.725 ' HD1' HG23 ' A' ' 52' ' ' THR . 14.9 t90 -56.78 -46.13 81.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 75.03 111.231 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.29 -29.83 48.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.506 -0.316 . . . . 63.45 111.268 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -75.94 -73.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.586 -0.279 . . . . 71.54 111.312 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 80.2 m -152.62 -58.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 64.13 110.968 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.72 81.44 0.75 Allowed Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.949 -0.569 . . . . 43.43 113.261 -175.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.725 HG23 ' HD1' ' A' ' 47' ' ' TRP . 26.1 m -71.75 -41.84 67.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.143 0.497 . . . . 64.45 109.811 176.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 p -123.39 108.65 12.95 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.697 -0.683 . . . . 64.23 110.634 177.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 m -81.03 97.09 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.501 0.667 . . . . 71.34 110.795 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -108.36 -58.31 2.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.466 -0.788 . . . . 73.21 110.838 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.53 ' CB ' ' HB2' ' A' ' 96' ' ' ASP . 14.4 m -88.22 5.72 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.002 -0.544 . . . . 61.3 111.527 -172.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.6 ttp -133.15 103.86 6.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.001 -0.545 . . . . 73.12 109.78 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.583 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -99.24 131.89 44.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.024 -0.535 . . . . 73.54 110.742 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 77.4 mt -95.62 95.95 8.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.998 -0.546 . . . . 74.21 110.265 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -91.34 114.84 27.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.274 -0.421 . . . . 72.34 110.43 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 68.3 tp -100.01 111.72 24.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.643 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.598 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 0.7 OUTLIER -96.51 152.69 18.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.02 -0.537 . . . . 74.11 109.713 177.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.97 -179.88 4.56 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.162 -0.681 . . . . 74.24 109.162 173.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -68.07 -26.97 66.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 65.21 111.613 -176.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -71.79 -36.67 70.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.437 -0.347 . . . . 72.53 110.357 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.65 25.25 2.91 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.792 -0.718 . . . . 64.33 112.296 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -114.17 150.68 33.84 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.277 -0.268 . . . . 64.53 110.277 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 118.11 22.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.406 0.622 . . . . 73.05 110.469 176.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -110.09 9.9 8.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.672 -0.695 . . . . 71.12 110.85 -177.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -73.45 103.01 3.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.707 -0.679 . . . . 63.54 111.246 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.93 118.86 14.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.08 -0.509 . . . . 75.03 110.306 176.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.85 75.36 10.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.094 0.473 . . . . 62.34 110.858 -176.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.6 m -118.2 -44.71 2.67 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.853 -0.612 . . . . 72.13 109.658 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.428 ' HB3' ' CG ' ' A' ' 77' ' ' ARG . 5.0 m-20 -115.24 83.34 1.9 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 65.53 109.587 173.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.737 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 3.8 p30 -96.79 -17.28 20.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.734 -0.666 . . . . 62.22 110.848 -176.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.0 m -97.66 19.85 12.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.14 -0.482 . . . . 71.23 110.835 -174.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.428 ' CG ' ' HB3' ' A' ' 74' ' ' ASP . 15.6 mmm-85 -114.09 152.79 46.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 109.703 -0.48 . . . . 72.42 109.703 -178.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.37 101.47 1.26 Allowed 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.113 1.875 . . . . 63.54 111.03 171.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.72 -31.82 73.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 72.1 111.594 -175.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.92 10.97 23.25 Favored Glycine 0 CA--C 1.517 0.192 0 C-N-CA 121.007 -0.616 . . . . 45.15 112.883 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -91.9 -22.21 20.18 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.574 -0.528 . . . . 73.0 109.574 175.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -71.72 -50.59 28.86 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.091 -0.707 . . . . 73.02 109.091 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.0 p -154.61 152.27 25.52 Favored Pre-proline 0 N--CA 1.446 -0.639 0 CA-C-N 115.028 -0.987 . . . . 42.32 108.649 174.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.2 -63.29 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.352 2.035 . . . . 75.13 111.492 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.488 ' HA ' ' CE2' ' A' ' 88' ' ' PHE . 25.1 p90 -175.16 98.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.328 0.585 . . . . 74.32 110.584 174.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.43 -60.56 3.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.758 -0.655 . . . . 62.11 110.401 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.48 53.97 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.668 -0.973 . . . . 64.32 110.668 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.488 ' CE2' ' HA ' ' A' ' 85' ' ' PHE . 78.6 m-85 -68.47 101.31 1.22 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.103 0.478 . . . . 74.15 110.7 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.598 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 11.4 mmt180 -101.99 115.65 30.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.689 -0.687 . . . . 62.33 110.257 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.6 mt -91.87 95.8 10.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.417 0.627 . . . . 65.24 110.749 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -86.25 91.64 8.53 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.616 -0.883 . . . . 62.22 108.616 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.3 mm -71.57 105.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.673 -0.694 . . . . 74.24 110.55 -174.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.583 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 39.6 mm -80.68 76.17 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 121.614 0.721 . . . . 70.32 109.446 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -88.78 96.24 10.6 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.805 -1.088 . . . . 52.45 108.742 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.65 -21.27 15.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.526 -0.761 . . . . 73.44 111.009 -172.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.53 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 7.5 t70 -64.62 112.19 7.33 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 72.41 111.245 -172.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 2.5 Cg_endo . . . . . 0 C--O 1.248 1.018 0 C-N-CA 122.943 2.428 . . . . 65.34 111.091 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 . . . . . 0 N--CA 1.456 -0.167 0 CA-C-O 121.424 0.631 . . . . 53.44 110.587 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 p -166.23 120.47 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.082 -0.508 . . . . 73.02 110.833 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.3 m -119.04 144.34 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.347 -0.388 . . . . 63.02 110.636 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.778 ' H ' ' HB2' ' A' ' 86' ' ' ASP . 37.7 m80 -89.05 91.84 8.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.098 -0.501 . . . . 72.32 110.356 178.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 75.8 mt -78.14 93.37 4.54 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.308 -0.627 . . . . 64.34 109.308 174.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.712 ' HB2' ' HA ' ' A' ' 89' ' ' ARG . 74.8 m-70 -74.28 82.48 1.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.92 -0.582 . . . . 75.44 111.017 -176.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.47 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 70.8 mt -62.32 111.14 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.66 -0.496 . . . . 70.44 109.66 175.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.5 m -122.73 142.27 50.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.064 -0.516 . . . . 54.53 110.309 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.49 167.03 11.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.457 -0.338 . . . . 60.0 110.759 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.91 -45.12 14.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.1 -0.5 . . . . 61.45 110.377 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -72.55 -57.46 4.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.868 -0.605 . . . . 73.04 110.464 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 99.0 mt -75.02 102.39 4.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.921 -0.581 . . . . 70.44 110.479 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -63.86 -53.11 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.942 -0.572 . . . . 72.15 110.775 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -89.91 87.73 7.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.157 0.503 . . . . 75.14 109.681 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -127.29 92.1 3.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.748 -0.66 . . . . 74.22 110.174 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 m -85.41 94.15 8.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.631 -0.713 . . . . 54.25 110.311 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.47 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -124.96 26.34 7.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.78 -0.645 . . . . 21.42 110.151 177.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . 0.496 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 9.1 p-10 -72.99 118.89 16.5 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.826 0.822 . . . . 74.31 110.582 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.546 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . . . -115.2 146.2 41.65 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.342 -0.844 . . . . 75.45 110.191 177.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -78.37 98.97 6.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.403 0.621 . . . . 55.33 110.782 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 31' ' ' ALA . 75.1 m-85 -107.57 154.41 21.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.719 -0.673 . . . . 73.21 110.412 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . 0.441 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 31.8 m -78.94 143.9 62.74 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 108.905 -0.776 . . . . 72.42 108.905 170.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 10.7 Cg_exo -71.89 30.57 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.18 2.587 . . . . 51.42 113.011 -175.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -115.28 20.54 14.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.04 0.448 . . . . 63.32 110.796 -177.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 56.9 ttp -120.77 106.55 11.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.771 -0.65 . . . . 74.13 109.775 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -78.73 159.0 28.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.057 0.456 . . . . 65.35 111.549 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.72 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 57.8 t -64.88 -28.0 43.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.828 -0.624 . . . . 64.02 110.749 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -54.65 -31.06 56.92 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.229 0.538 . . . . 60.42 110.907 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.5 -40.78 22.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 74.42 111.545 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' ' 39' ' ' VAL . 10.4 p -69.28 -32.58 54.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 120.868 -0.333 . . . . 55.34 110.898 -176.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -62.03 -44.5 96.58 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.879 0.371 . . . . 75.14 110.03 175.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -64.69 -39.63 93.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.63 -0.714 . . . . 53.14 110.256 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -67.85 -33.25 74.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.384 -0.826 . . . . 74.54 111.015 -176.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.3 mt -79.74 -35.98 38.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.206 0.527 . . . . 53.2 110.336 175.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -63.69 -33.53 75.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.443 -0.799 . . . . 74.21 110.663 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -94.46 5.74 50.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.245 -0.434 . . . . 74.55 111.124 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -100.67 -60.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.893 0.378 . . . . 74.41 110.397 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.5 m -99.12 -11.46 21.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.356 -0.384 . . . . 71.21 111.103 -176.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.06 35.54 90.73 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.749 -0.739 . . . . 52.24 111.82 -177.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.0 m -107.85 133.59 52.0 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.27 -0.27 . . . . 64.54 110.27 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.3 m -68.3 123.99 22.26 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.927 -0.397 . . . . 63.2 109.927 176.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.36 2.93 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 112.348 0.499 . . . . 73.52 112.348 -172.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -71.37 -15.37 62.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.242 0.544 . . . . 75.22 110.623 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.3 m -95.74 0.65 52.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.22 -0.446 . . . . 54.44 110.65 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.7 ttp -142.1 110.77 6.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 55.24 111.024 -174.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.04 148.78 28.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.376 -0.375 . . . . 64.21 110.027 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.2 mt -97.72 109.57 22.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.44 0.638 . . . . 74.22 110.761 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.702 ' HB3' ' HB3' ' A' ' 91' ' ' HIS . 2.4 tm-20 -90.03 153.61 20.44 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.849 -1.069 . . . . 74.12 108.779 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 88' ' ' PHE . 21.3 tp -132.35 104.64 6.83 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.185 -0.606 . . . . 52.12 112.068 -171.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.586 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 56.5 m-85 -87.04 146.47 26.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.62 -0.718 . . . . 72.31 109.126 171.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.465 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -115.89 153.5 31.41 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.529 -0.545 . . . . 75.31 109.529 174.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -90.97 23.38 3.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.643 0.609 . . . . 73.43 112.643 -174.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.0 t -122.87 -54.89 1.82 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.933 0.397 . . . . 53.42 110.118 175.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.71 -86.33 1.91 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 121.012 -0.614 . . . . 62.34 112.303 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.8 m -160.7 -76.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.944 0.402 . . . . 75.32 111.379 -177.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.427 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 4.4 mtpm? -138.9 102.42 4.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 54.44 109.854 -170.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 2.7 m -127.79 101.45 7.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.284 0.564 . . . . 75.05 110.817 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.75 110.18 18.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.884 -0.598 . . . . 72.42 110.53 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.498 ' HB ' ' OD1' ' A' ' 74' ' ' ASP . 46.9 t -68.27 -59.78 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.628 -0.508 . . . . 60.25 109.628 177.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp 71.51 5.54 5.44 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.626 -0.716 . . . . 63.1 111.253 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' SER . . . . . 0.45 ' H ' HG12 ' A' ' 71' ' ' VAL . 43.0 t -103.47 -6.68 21.58 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.231 -1.025 . . . . 73.41 108.231 172.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.498 ' OD1' ' HB ' ' A' ' 71' ' ' VAL . 9.0 p-10 -93.62 -15.82 24.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.449 -1.251 . . . . 72.25 110.525 -178.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.72 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 9.2 p-10 -61.57 -33.46 73.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.823 -0.626 . . . . 72.43 111.308 -175.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 p -105.5 10.51 33.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.681 -0.691 . . . . 63.21 111.138 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -118.31 159.77 42.18 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.431 -0.581 . . . . 61.24 109.431 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.04 110.38 0.67 Allowed 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 121.896 1.73 . . . . 74.13 110.769 172.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.6 tp -58.59 -27.12 64.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.385 -0.371 . . . . 75.53 111.642 -172.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.93 -10.43 83.85 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 121.185 -0.531 . . . . 73.41 112.654 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -78.31 -42.52 30.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.535 -0.543 . . . . 73.43 109.535 176.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -77.47 -41.66 38.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.827 -0.624 . . . . 72.15 110.233 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.1 t 67.79 91.37 0.07 OUTLIER Pre-proline 0 C--O 1.234 0.259 0 CA-C-N 115.807 -0.633 . . . . 53.45 111.004 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -90.33 177.09 2.44 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.14 2.56 . . . . 61.31 112.627 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.598 ' H ' ' HE2' ' A' ' 88' ' ' PHE . 59.3 m-85 -95.58 175.96 6.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.926 -0.579 . . . . 72.13 109.724 177.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.778 ' HB2' ' H ' ' A' ' 16' ' ' HIS . 3.7 p-10 -95.38 -9.26 33.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.795 0.331 . . . . 61.15 110.69 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.03 64.27 2.72 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.799 -0.715 . . . . 45.22 112.248 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.598 ' HE2' ' H ' ' A' ' 85' ' ' PHE . 49.7 m-85 -135.1 141.46 46.03 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.046 0.451 . . . . 74.22 110.862 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ARG . . . . . 0.712 ' HA ' ' HB2' ' A' ' 18' ' ' HIS . 80.2 mtt85 -110.16 117.87 34.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.032 -0.531 . . . . 74.43 110.888 178.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.43 90.81 4.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.187 -0.672 . . . . 71.34 109.187 174.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' HIS . . . . . 0.702 ' HB3' ' HB3' ' A' ' 60' ' ' GLU . 19.1 t-160 -86.03 97.83 10.5 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.866 -0.607 . . . . 54.41 109.833 -175.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.42 114.13 3.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.547 -0.752 . . . . 74.41 110.488 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.68 94.73 4.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.989 0.423 . . . . 61.44 110.7 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -94.48 107.84 19.8 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.13 -0.693 . . . . 74.32 109.13 171.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.06 -74.48 0.13 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.897 -0.592 . . . . 72.0 110.223 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 3.5 p-10 -128.05 124.0 22.92 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 116.316 -0.402 . . . . 72.41 110.128 177.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 3.0 Cg_exo . . . . . 0 C--O 1.249 1.062 0 C-N-CA 123.051 2.5 . . . . 73.52 112.006 178.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.866 0 N-CA-C 109.943 -0.392 . . . . 64.33 109.943 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -108.07 -148.76 14.05 Favored Glycine 0 N--CA 1.446 -0.695 0 C-N-CA 120.852 -0.69 . . . . 64.02 111.929 178.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 13.9 p-80 -145.02 123.67 12.52 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.96 0.41 . . . . 74.45 110.646 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -86.99 132.73 33.7 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.07 0.462 . . . . 75.12 110.493 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -139.35 92.47 2.58 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.413 0.625 . . . . 71.11 110.041 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.4 p80 -108.79 114.39 28.14 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.604 -0.726 . . . . 73.12 110.626 -176.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 55.4 m80 -106.59 110.12 22.23 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.999 -0.546 . . . . 74.23 110.319 179.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.72 106.27 15.01 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.251 -0.648 . . . . 71.32 109.251 177.256 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.1 p -60.79 118.05 6.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.716 -0.674 . . . . 43.31 112.473 -170.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -156.43 104.86 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.132 -0.94 . . . . 72.44 110.073 177.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -77.0 68.87 2.53 Favored Glycine 0 C--O 1.227 -0.3 0 C-N-CA 120.925 -0.655 . . . . 64.42 111.759 176.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -79.33 155.58 28.4 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.834 0.35 . . . . 63.14 110.681 -177.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.5 t0 -103.98 100.57 10.35 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.015 0.436 . . . . 74.33 110.827 -176.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.618 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 70.5 m -153.88 141.74 20.13 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.648 -0.705 . . . . 64.15 109.989 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.498 HG23 ' HG ' ' A' ' 17' ' ' LEU . 20.0 m -93.8 162.19 2.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 116.438 -0.346 . . . . 62.11 110.63 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 44.3 m80 -103.68 76.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.927 0.394 . . . . 75.33 110.238 -178.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.498 ' HG ' HG23 ' A' ' 15' ' ' VAL . 91.8 mt -71.56 117.43 13.11 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.111 -0.495 . . . . 71.5 110.757 -177.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -81.23 93.75 6.56 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.105 -0.498 . . . . 63.25 110.299 178.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.457 HD11 ' HE2' ' A' ' 33' ' ' PHE . 65.1 mt -84.35 110.46 18.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.727 -0.67 . . . . 44.44 110.487 -179.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 23.1 p -114.46 117.44 31.0 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.173 0.511 . . . . 71.21 110.978 179.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -84.84 120.97 27.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.679 -0.691 . . . . 75.33 109.348 178.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.72 -14.04 28.43 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 113.318 0.858 . . . . 50.05 113.318 -172.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -70.61 -20.54 62.74 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.786 0.327 . . . . 75.13 110.355 178.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 mp -113.12 152.22 29.87 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.932 -0.576 . . . . 71.44 109.932 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 49.8 tttp -66.71 -52.38 45.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.226 0.536 . . . . 72.22 110.342 179.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 41.0 t -135.46 100.48 4.52 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.01 -0.541 . . . . 75.24 110.166 178.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -102.56 91.08 4.06 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.984 -0.747 . . . . 73.13 108.984 176.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.9 p -82.04 85.73 6.69 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.202 0.525 . . . . 74.45 111.435 -175.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -126.48 85.19 2.35 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.078 -0.51 . . . . 43.24 110.754 177.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.491 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 13.7 p-10 -91.28 87.76 6.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 122.177 0.989 . . . . 75.51 109.695 175.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -86.75 134.55 33.57 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 114.881 -1.054 . . . . 72.13 110.928 -176.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 32' ' ' ARG . 6.2 ptm180 -71.85 115.72 11.38 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.618 -0.719 . . . . 65.24 110.694 175.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.457 ' HE2' HD11 ' A' ' 19' ' ' ILE . 63.4 m-85 -124.68 136.05 53.57 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.562 -0.745 . . . . 71.25 109.884 175.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 23.0 t -65.39 121.98 77.68 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.265 -0.642 . . . . 63.02 109.265 175.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.618 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 57.0 Cg_endo -71.74 13.13 0.49 Allowed 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 123.02 2.48 . . . . 70.11 113.646 -173.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mm-40 -93.42 1.61 56.8 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.543 -0.539 . . . . 61.21 109.543 174.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.6 ttm -87.32 130.11 34.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.571 -0.74 . . . . 73.23 110.315 179.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 70.6 p -92.11 162.81 14.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.007 0.432 . . . . 61.54 111.065 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.464 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 47.6 t -66.29 -34.56 71.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.564 -0.532 . . . . 75.23 109.564 175.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -57.77 -43.29 85.41 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 115.408 -0.814 . . . . 73.24 111.131 178.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.26 -48.55 72.84 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.967 -0.561 . . . . 75.43 111.868 -176.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.6 p -67.01 -29.01 44.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.618 -0.265 . . . . 62.2 111.362 -174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.464 ' HG2' ' O ' ' A' ' 39' ' ' VAL . 34.2 mmtp -65.42 -60.29 3.12 Favored 'General case' 0 C--O 1.233 0.191 0 CA-C-O 120.774 0.321 . . . . 51.14 111.044 179.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.605 ' HA ' ' HB3' ' A' ' 47' ' ' TRP . 40.0 mt-10 -67.71 -24.58 65.4 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.343 -0.389 . . . . 74.21 111.887 -176.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -60.5 -43.81 96.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.895 0.378 . . . . 74.43 110.587 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.3 mt -82.47 -30.77 29.74 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.2 -0.455 . . . . 75.43 110.217 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.605 ' HB3' ' HA ' ' A' ' 44' ' ' GLU . 59.2 t90 -60.12 -49.63 76.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.656 -0.702 . . . . 63.24 111.088 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.562 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 22.1 ptmt -69.35 -25.39 64.17 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 121.076 0.465 . . . . 60.35 110.914 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -81.03 -50.58 9.49 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.925 -0.579 . . . . 61.3 111.225 -174.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.4 m -93.23 -32.86 14.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.548 -0.296 . . . . 73.43 111.642 -176.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.15 53.64 8.93 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.65 -0.786 . . . . 61.44 112.073 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.9 t -146.01 159.37 43.35 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 110.398 -0.223 . . . . 61.13 110.398 -176.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.0 p -89.61 119.06 29.7 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-O 121.198 0.523 . . . . 71.42 110.73 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.0 m -89.89 42.5 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.361 0.6 . . . . 74.14 111.171 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -82.28 -35.06 28.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.946 -0.57 . . . . 72.25 111.157 -177.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 p -83.49 5.07 25.19 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.015 0.436 . . . . 72.22 111.611 -177.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 42.7 ttm -118.27 94.34 4.46 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.031 -0.532 . . . . 61.21 109.66 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.578 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -91.72 154.65 18.83 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.125 -0.488 . . . . 72.41 111.167 -175.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 97.0 mt -115.65 96.63 5.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.144 -0.48 . . . . 72.44 110.761 -178.481 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.421 ' HB3' ' CZ ' ' A' ' 62' ' ' TYR . 13.3 mm-40 -82.58 91.41 6.93 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.957 -0.565 . . . . 73.51 109.947 176.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.573 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 56.8 tp -82.34 101.64 10.71 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.346 -0.843 . . . . 54.35 110.307 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.421 ' CZ ' ' HB3' ' A' ' 60' ' ' GLU . 49.1 m-85 -98.52 159.35 15.01 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.077 0.465 . . . . 73.5 111.081 -178.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -104.24 -164.57 1.07 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.619 -0.718 . . . . 44.01 109.435 175.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -79.04 -27.48 43.17 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.723 0.297 . . . . 64.45 110.722 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.9 t -71.14 -45.66 63.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.992 0.425 . . . . 74.13 110.065 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 125.23 33.46 0.72 Allowed Glycine 0 N--CA 1.45 -0.427 0 C-N-CA 120.453 -0.88 . . . . 72.32 112.299 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 m -124.51 157.92 34.16 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.826 -0.435 . . . . 70.43 109.826 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 16.6 ptpt -85.17 111.15 19.54 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.448 0.642 . . . . 65.54 110.065 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 23.2 m -86.43 -6.11 10.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.668 -0.696 . . . . 55.42 111.001 -176.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.573 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -70.27 110.38 5.2 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.035 -0.53 . . . . 74.42 109.79 174.66 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.511 HG13 ' H ' ' A' ' 73' ' ' SER . 12.3 p -111.26 0.66 9.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.496 0.665 . . . . 65.21 109.926 -176.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 73.01 -4.34 2.2 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 115.141 -0.936 . . . . 54.42 111.531 176.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.511 ' H ' HG13 ' A' ' 71' ' ' VAL . 16.0 m -85.68 -18.03 34.34 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.62 -0.882 . . . . 75.51 108.62 171.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -76.61 -3.8 39.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.254 -1.339 . . . . 64.53 110.897 178.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -60.62 -25.95 66.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.674 -0.694 . . . . 63.15 111.208 -178.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.8 p -129.64 22.71 5.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.794 -0.639 . . . . 74.23 111.162 -174.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.9 mmm-85 -122.97 135.9 26.32 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-N 116.379 -0.373 . . . . 74.32 110.311 -178.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.477 ' HG2' ' HB3' ' A' ' 81' ' ' PHE . 15.2 Cg_endo -59.66 116.66 3.45 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 122.344 2.029 . . . . 62.44 111.398 174.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 93.9 mt -55.2 -40.25 70.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.055 -0.52 . . . . 72.31 111.558 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.486 ' H ' ' HB2' ' A' ' 35' ' ' PRO . . . -78.09 0.59 72.74 Favored Glycine 0 CA--C 1.519 0.317 0 C-N-CA 121.029 -0.605 . . . . 73.31 112.866 -176.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.477 ' HB3' ' HG2' ' A' ' 78' ' ' PRO . 69.9 t80 -108.4 -15.51 14.44 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.152 0.501 . . . . 72.22 109.754 179.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -92.68 -54.78 3.63 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.879 -0.601 . . . . 73.43 111.06 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.469 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 46.7 m -136.15 131.38 18.71 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 120.778 0.323 . . . . 71.43 111.446 -177.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.469 ' HD3' ' HA ' ' A' ' 83' ' ' SER . 4.2 Cg_exo -80.53 95.04 0.99 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.205 2.603 . . . . 35.45 112.349 179.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -137.78 137.38 38.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.968 -0.56 . . . . 74.02 109.871 177.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -62.77 -39.61 94.7 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.106 0.479 . . . . 70.1 110.858 178.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -162.4 129.5 2.08 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.746 -0.74 . . . . 54.3 112.025 179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' HB3' HD11 ' A' ' 61' ' ' LEU . 97.3 m-85 -87.46 161.61 17.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.754 0.311 . . . . 71.01 110.613 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 21.4 mmt85 -94.37 101.82 13.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.085 -0.507 . . . . 74.02 110.819 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 66.2 mt -97.19 96.52 8.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.36 -0.382 . . . . 70.41 110.394 178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -98.4 101.35 12.77 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.983 -0.747 . . . . 61.22 108.983 175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 59.8 mt -73.33 111.53 8.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.694 -0.684 . . . . 71.43 111.085 -175.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.578 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 48.9 mm -82.31 82.63 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 N-CA-C 108.927 -0.768 . . . . 61.31 108.927 175.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 50.4 t0 -89.05 94.55 9.98 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.709 -1.132 . . . . 70.14 109.846 -177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.514 ' HG ' HG22 ' A' ' 93' ' ' ILE . 78.8 mt -97.75 16.38 20.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.664 -0.698 . . . . 74.43 110.883 -176.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -115.53 83.58 11.13 Favored Pre-proline 0 C--N 1.326 -0.414 0 CA-C-O 121.181 0.515 . . . . 71.14 109.746 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 95' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.246 0.905 0 C-N-CA 123.138 2.559 . . . . 51.55 111.521 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.4 mtp . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.948 0.404 . . . . 73.3 110.374 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.42 -145.48 15.18 Favored Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 111.321 -0.712 . . . . 73.04 111.321 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.4 m-70 58.0 70.54 0.64 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.056 0.455 . . . . 72.22 111.637 179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 43.8 m80 -137.19 27.06 2.9 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.028 -0.533 . . . . 74.34 109.564 176.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.1 t-80 -80.29 78.87 6.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.447 -0.797 . . . . 70.04 110.954 -174.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 p-80 -133.87 144.99 49.24 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.151 -0.477 . . . . 74.44 110.072 175.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -149.57 105.85 3.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.966 -0.561 . . . . 73.41 109.728 -176.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.8 p-80 -125.72 119.15 27.21 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.525 -0.546 . . . . 71.34 109.525 174.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.0 t -148.53 127.74 12.92 Favored 'General case' 0 C--N 1.319 -0.739 0 N-CA-C 109.652 -0.499 . . . . 72.0 109.652 177.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -80.54 76.15 7.39 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 121.323 0.582 . . . . 63.44 109.79 179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 141.98 -148.5 20.21 Favored Glycine 0 N--CA 1.444 -0.819 0 CA-C-N 115.42 -0.809 . . . . 64.41 111.339 -177.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -144.84 137.34 26.27 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.741 0.27 . . . . 64.3 110.543 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -165.07 98.73 0.74 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.994 0.426 . . . . 75.41 110.338 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.5 m -160.09 141.16 12.3 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.92 -0.582 . . . . 75.15 109.953 179.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 34.9 m -105.48 152.31 7.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.766 0.317 . . . . 75.32 110.303 177.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -91.87 93.58 8.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.222 -0.445 . . . . 52.34 110.237 179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 83.2 mt -74.74 104.92 5.58 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.593 -0.521 . . . . 72.54 109.593 178.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -72.38 101.43 2.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.062 -0.517 . . . . 74.21 110.212 -178.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.0 mt -87.14 118.5 33.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.977 -0.556 . . . . 73.11 110.348 -178.757 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.4 m -121.16 98.37 5.95 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 116.055 -0.521 . . . . 64.4 109.894 178.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 9.9 t-160 -76.67 124.02 27.02 Favored 'General case' 0 C--O 1.22 -0.474 0 N-CA-C 109.586 -0.524 . . . . 60.13 109.586 -178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.512 ' HB2' HD13 ' A' ' 93' ' ' ILE . . . -56.81 -37.43 71.18 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.04 0.385 . . . . 74.12 112.04 -176.584 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.608 ' ND2' ' HA ' ' A' ' 97' ' ' PRO . 3.2 m-20 -59.9 -33.5 71.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.014 -0.539 . . . . 54.11 110.899 179.139 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 67.4 mt -127.26 86.1 2.45 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.298 -0.63 . . . . 50.44 109.298 -178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' HB3' ' HE2' ' A' ' 25' ' ' LYS . 13.9 ptpt -71.63 -2.03 15.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.216 -0.447 . . . . 63.33 111.979 -173.377 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 45.3 t -98.96 4.73 47.36 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.966 0.412 . . . . 63.31 110.013 174.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -78.9 107.58 11.74 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.475 -0.565 . . . . 72.14 109.475 178.183 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.4 p -118.65 23.77 11.28 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.829 -0.623 . . . . 64.22 111.193 -175.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -83.47 113.92 21.11 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.154 0.502 . . . . 53.03 111.278 -178.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -90.51 150.5 21.75 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.836 -0.62 . . . . 74.2 109.929 176.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.61 139.99 52.18 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.075 0.464 . . . . 63.11 111.517 -176.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -81.18 112.77 18.82 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.619 -0.719 . . . . 74.2 110.911 177.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 47.6 m-85 -140.18 169.64 17.32 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 120.922 0.391 . . . . 73.24 110.781 177.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.413 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 45.8 p -105.23 123.68 38.91 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 115.642 -0.708 . . . . 65.41 110.094 178.399 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 17.5 Cg_exo -66.73 -8.38 21.08 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 123.055 2.504 . . . . 60.3 112.318 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -77.67 3.55 13.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 74.31 111.138 179.163 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 46.8 ttm -91.14 146.58 23.72 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.776 -0.453 . . . . 64.34 109.776 176.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 p -95.36 151.72 19.02 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.121 0.486 . . . . 45.51 111.001 -179.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 1.011 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 18.4 t -78.3 -8.28 11.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.83 0.824 . . . . 74.21 109.76 179.335 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.486 ' HB2' ' HA ' ' A' ' 76' ' ' SER . 27.6 tt0 -66.03 -42.53 89.46 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.575 -0.739 . . . . 62.43 110.321 176.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.82 -31.16 45.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.881 -0.6 . . . . 72.32 112.112 -173.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 7.8 p -66.21 -25.89 36.74 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.325 0 N-CA-C 111.483 0.179 . . . . 55.25 111.483 -174.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 47.1 mttp -63.09 -51.74 65.4 Favored 'General case' 0 C--O 1.232 0.151 0 CA-C-O 120.799 0.333 . . . . 71.24 110.386 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.555 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 36.6 tt0 -68.54 -30.63 69.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.123 -0.489 . . . . 74.43 110.101 178.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -58.99 -41.7 88.23 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.895 -0.593 . . . . 72.54 110.877 -178.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 94.2 mt -81.64 -24.95 36.04 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-O 120.994 0.426 . . . . 73.23 110.597 178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 9.9 t90 -69.53 -54.44 14.16 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.83 -0.623 . . . . 64.32 110.789 -178.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.555 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 56.4 pttt -81.98 -6.85 59.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.942 0.401 . . . . 70.3 111.361 -176.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 63.8 tttp -80.49 -43.07 21.42 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.064 0.459 . . . . 74.22 110.306 176.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 48.7 t -160.29 -37.21 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.83 -0.623 . . . . 71.34 110.249 -176.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 107.19 50.03 0.84 Allowed Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.738 -0.744 . . . . 35.41 112.208 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.404 ' O ' ' HB3' ' A' ' 53' ' ' SER . 18.3 m -67.94 -22.32 65.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.743 0.306 . . . . 75.31 111.098 -179.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 52' ' ' THR . 35.8 t 72.68 160.21 0.23 Allowed 'General case' 0 N--CA 1.464 0.242 0 CA-C-N 115.793 -0.639 . . . . 73.24 111.168 179.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.7 m -106.15 -1.22 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.876 -0.602 . . . . 71.31 110.747 179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -99.47 -28.64 13.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.269 -0.423 . . . . 72.22 110.641 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.5 t -86.8 10.81 14.81 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.212 0.529 . . . . 71.12 110.259 -177.75 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.8 ttp -147.07 132.43 18.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.84 -0.618 . . . . 74.35 110.208 -179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.624 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -117.12 141.77 47.85 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.774 -0.454 . . . . 75.12 109.774 175.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 89.4 mt -105.93 95.53 5.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.318 -0.401 . . . . 73.41 110.868 -174.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.782 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 24.3 mm-40 -79.6 88.11 5.13 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.148 -0.478 . . . . 61.14 110.252 176.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.464 ' H ' ' HB2' ' A' ' 70' ' ' ALA . 56.1 tp -79.62 104.16 10.02 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.65 -0.705 . . . . 64.11 110.221 178.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.426 ' CZ ' ' HB3' ' A' ' 60' ' ' GLU . 23.3 m-85 -105.01 139.66 39.36 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.008 -0.542 . . . . 54.33 111.127 -178.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.412 ' HA ' ' CD1' ' A' ' 88' ' ' PHE . 15.8 t70 -74.47 88.82 2.12 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.916 -0.772 . . . . 61.11 108.916 176.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.9 t70 57.97 31.01 20.05 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-N 115.249 -0.887 . . . . 75.32 110.445 -177.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.611 ' OG ' ' HD2' ' A' ' 89' ' ' ARG . 74.1 m 69.54 0.95 3.14 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 115.25 -0.886 . . . . 73.33 112.907 177.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -87.92 -67.54 1.3 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.365 -0.921 . . . . 44.44 111.673 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.1 m -96.9 171.4 8.53 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.828 -0.434 . . . . 50.34 109.828 178.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.2 pttt -115.61 126.23 53.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.118 0.485 . . . . 73.21 110.412 178.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 27.3 m -125.45 17.66 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.776 -0.647 . . . . 74.01 111.114 -173.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.464 ' HB2' ' H ' ' A' ' 61' ' ' LEU . . . -79.08 91.29 4.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.109 -0.496 . . . . 53.52 111.068 -179.215 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -102.03 -40.74 7.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 116.411 -0.359 . . . . 75.41 110.918 177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 54.86 67.84 0.95 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 121.273 0.558 . . . . 72.13 111.194 -178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 18.7 t -134.34 6.01 3.53 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 122.159 0.981 . . . . 72.21 108.492 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 17.1 p-10 -146.3 19.35 1.38 Allowed 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.233 -1.349 . . . . 63.5 109.492 -172.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 1.011 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 7.7 p-10 -69.19 -17.31 63.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.323 -0.853 . . . . 73.55 111.141 -174.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.486 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 16.8 m -79.49 2.83 20.57 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.131 -0.486 . . . . 72.12 110.714 176.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 31.8 mmm180 -117.93 157.1 49.26 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 54.24 109.801 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.447 ' HB2' ' HB2' ' A' ' 81' ' ' PHE . 9.6 Cg_exo -72.63 118.05 5.41 Favored 'Trans proline' 0 N--CA 1.463 -0.319 0 C-N-CA 122.471 2.114 . . . . 73.51 111.326 174.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 84.9 mt -59.94 -37.47 79.62 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.878 0.371 . . . . 61.13 111.135 -177.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -79.02 -3.65 88.31 Favored Glycine 0 CA--C 1.518 0.28 0 CA-C-N 116.115 -0.493 . . . . 51.13 113.058 -179.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.447 ' HB2' ' HB2' ' A' ' 78' ' ' PRO . 85.5 t80 -76.96 -43.65 34.27 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.549 -0.537 . . . . 72.14 109.549 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -89.21 -54.74 3.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.615 -0.72 . . . . 75.11 109.618 176.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.9 t 57.82 88.18 0.13 Allowed Pre-proline 0 C--O 1.234 0.281 0 CA-C-N 115.238 -0.892 . . . . 74.11 111.913 179.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_exo -66.46 -47.99 2.68 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.155 1.903 . . . . 73.3 110.061 171.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -144.01 -53.96 0.35 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 114.945 -1.025 . . . . 75.2 109.003 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.1 t70 69.5 159.3 0.18 Allowed 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.213 -0.903 . . . . 63.44 111.495 175.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 85.65 38.88 8.51 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 110.875 -0.89 . . . . 35.42 110.875 -173.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.412 ' CD1' ' HA ' ' A' ' 63' ' ' ASP . 57.8 m-85 -83.5 -178.44 7.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.263 0.554 . . . . 74.24 111.259 -175.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.611 ' HD2' ' OG ' ' A' ' 65' ' ' SER . 71.5 mtt180 -122.32 138.62 54.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.042 -0.725 . . . . 74.04 109.042 177.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 96.2 mt -105.72 108.75 20.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.787 0.327 . . . . 75.43 111.569 -172.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.782 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 9.9 t-80 -88.2 96.26 10.48 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.827 -0.805 . . . . 71.41 108.827 174.137 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.7 mm -79.9 113.67 19.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.945 -0.57 . . . . 74.43 110.816 -173.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.624 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 38.4 mm -94.39 120.3 43.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.674 -0.693 . . . . 71.24 110.222 179.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -99.11 149.99 22.48 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 108.765 -0.828 . . . . 74.03 108.765 175.52 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 tp -76.08 -23.34 54.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 120.821 0.343 . . . . 74.0 110.841 -178.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.426 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 35.0 t70 -127.83 117.56 20.89 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-O 120.71 0.291 . . . . 54.14 110.77 178.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.608 ' HA ' ' ND2' ' A' ' 23' ' ' ASN . 4.3 Cg_exo . . . . . 0 C--O 1.246 0.904 0 C-N-CA 123.184 2.589 . . . . 54.21 112.13 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.479 1.023 0 CA-C-O 121.091 0.472 . . . . 74.52 110.343 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.22 122.92 0.72 Allowed Glycine 0 N--CA 1.447 -0.608 0 N-CA-C 111.174 -0.77 . . . . 75.21 111.174 -178.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.0 m80 -124.39 175.28 7.21 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.199 0.523 . . . . 74.43 111.224 -176.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.0 p80 -141.75 50.35 1.56 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.419 -0.81 . . . . 74.43 109.187 176.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -73.41 -29.58 62.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.103 -0.953 . . . . 54.54 111.339 -175.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 85.9 t60 -67.82 130.19 42.21 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.58 -0.282 . . . . 74.22 110.574 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -112.08 163.99 13.66 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.808 -0.441 . . . . 75.41 109.808 179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.3 t-80 -122.69 -72.14 0.7 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.526 -0.546 . . . . 72.24 109.526 175.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.3 m 51.81 -156.4 0.14 Allowed 'General case' 0 CA--C 1.534 0.331 0 O-C-N 123.692 0.62 . . . . 71.42 111.174 178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -129.89 83.13 2.11 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.189 -0.671 . . . . 64.4 109.189 171.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -87.84 121.42 5.89 Favored Glycine 0 N--CA 1.443 -0.836 0 CA-C-N 115.338 -0.846 . . . . 45.01 112.949 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -110.76 -1.19 16.75 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.908 0.861 . . . . 74.44 108.966 174.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -106.79 157.0 18.07 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.357 -0.838 . . . . 53.44 110.407 -178.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 91.6 p 62.13 165.81 0.1 Allowed 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.318 1.047 . . . . 73.02 112.757 178.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 27.8 m -125.15 144.0 36.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.888 -0.597 . . . . 63.02 110.683 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -92.76 110.39 21.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.093 -0.503 . . . . 72.32 111.196 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 90.6 mt -108.59 139.17 43.75 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.776 -0.647 . . . . 64.34 109.671 177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 88.1 m-70 -93.24 98.56 11.36 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.527 -0.306 . . . . 75.44 110.238 -176.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 56.1 mt -81.37 132.75 30.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.338 -0.392 . . . . 70.44 110.869 -178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.699 ' HA ' ' HD2' ' A' ' 27' ' ' PHE . 17.3 m -139.86 127.82 22.17 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 116.345 -0.389 . . . . 54.53 110.216 176.322 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -86.47 149.28 25.1 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.173 -0.677 . . . . 60.0 109.173 179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.404 ' HB3' ' HB2' ' A' ' 94' ' ' ASP . . . -61.31 -45.75 93.15 Favored 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.682 0.623 . . . . 61.45 112.682 -172.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -82.02 -11.32 58.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.239 0.542 . . . . 73.04 110.907 -177.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.7 mt -93.49 113.73 25.93 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.054 0.454 . . . . 70.44 110.789 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.6 tptt -72.17 -53.79 11.63 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.811 -0.632 . . . . 72.15 110.127 179.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -98.25 96.05 7.81 Favored 'General case' 0 C--O 1.236 0.389 0 N-CA-C 109.764 -0.458 . . . . 75.14 109.764 178.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.699 ' HD2' ' HA ' ' A' ' 20' ' ' THR . 27.9 t80 -152.74 110.86 3.66 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.939 -0.573 . . . . 74.22 109.81 176.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.3 m -143.06 60.91 1.41 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.824 -0.625 . . . . 54.25 109.523 -178.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -67.12 118.99 11.3 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.737 -0.665 . . . . 21.42 111.435 -175.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -75.18 97.51 3.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.989 -0.551 . . . . 74.31 109.998 175.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.86 143.85 48.69 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.164 -0.471 . . . . 75.45 110.636 -178.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.423 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 19.0 ptt180 -113.1 111.75 22.65 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.419 0.628 . . . . 55.33 110.406 179.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -105.1 165.03 11.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.582 -0.735 . . . . 73.21 109.922 179.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.1 p -87.44 146.36 39.5 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 110.117 -0.327 . . . . 72.42 110.117 178.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.57 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 42.0 Cg_endo -68.56 3.54 2.17 Favored 'Trans proline' 0 CA--C 1.531 0.371 0 C-N-CA 123.075 2.517 . . . . 51.42 112.803 -179.136 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -97.91 4.33 49.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.288 -0.415 . . . . 63.32 110.643 -177.621 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 60.3 ttp -82.71 111.77 18.95 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.213 -0.449 . . . . 74.13 111.308 -177.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 11.3 m -93.71 142.33 27.48 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.668 -0.696 . . . . 65.35 109.136 172.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.655 ' HB ' ' HA ' ' A' ' 75' ' ' ASP . 41.7 t -64.54 -33.91 66.17 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.343 0 N-CA-C 112.041 0.385 . . . . 64.02 112.041 -173.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.547 ' HB2' ' HB2' ' A' ' 75' ' ' ASP . 37.1 tt0 -68.37 -33.58 74.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.131 0.491 . . . . 60.42 109.735 178.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.39 -39.14 74.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.836 -0.62 . . . . 74.42 110.96 179.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.604 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 8.5 p -75.45 -30.27 22.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 C-N-CA 120.606 -0.438 . . . . 55.34 110.703 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.875 ' HD3' ' HB ' ' A' ' 54' ' ' VAL . 87.6 mttt -63.74 -35.9 82.09 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.737 0.303 . . . . 75.14 110.539 176.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -57.58 -41.23 80.7 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.007 -0.542 . . . . 53.14 109.874 175.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.2 mttt -88.73 8.65 27.74 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.918 -0.583 . . . . 74.54 111.389 179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.604 ' HG ' ' O ' ' A' ' 42' ' ' VAL . 89.3 mt -98.05 -42.57 7.43 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.048 -0.723 . . . . 53.2 109.048 170.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 27.1 t90 -64.88 -38.49 91.15 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.315 -0.857 . . . . 74.21 109.85 175.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -79.27 -4.51 51.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.942 -0.572 . . . . 74.55 111.892 178.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 4.1 ttmp? -107.58 -59.52 1.82 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.971 0.415 . . . . 74.41 111.321 -177.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 60.8 m -97.99 -23.42 15.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.296 -0.411 . . . . 71.21 111.207 -175.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.48 67.97 1.6 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.548 -0.834 . . . . 52.24 111.411 -175.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 88.6 m -146.32 135.56 22.78 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.863 -0.421 . . . . 64.54 109.863 -177.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.0 m -56.4 127.88 33.21 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.453 0.471 . . . . 63.2 109.914 177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.875 ' HB ' ' HD3' ' A' ' 43' ' ' LYS . 26.9 m -70.8 3.68 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 116.091 -0.504 . . . . 73.52 112.012 -172.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -93.95 -32.05 14.03 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.074 -0.512 . . . . 75.22 110.778 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.2 m -75.94 -37.76 58.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.898 0.38 . . . . 54.44 111.774 -176.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 47.0 ttp -98.91 103.54 15.5 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.099 0.476 . . . . 55.24 110.634 -177.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.425 ' H ' ' HB ' ' A' ' 93' ' ' ILE . . . -105.44 -174.84 2.63 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.716 -0.675 . . . . 64.21 110.464 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.8 mt -130.79 125.68 34.39 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.063 0.459 . . . . 74.22 111.194 -178.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.901 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 9.0 mm-40 -87.33 97.18 10.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.796 -0.638 . . . . 74.12 110.027 172.641 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.674 ' HG ' HG23 ' A' ' 69' ' ' VAL . 43.1 tp -83.94 104.66 14.2 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.038 -0.528 . . . . 52.12 110.13 -179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.583 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 27.4 m-85 -101.12 141.17 34.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.02 -0.536 . . . . 72.31 111.126 -179.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -117.19 -178.56 3.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.106 -0.497 . . . . 75.31 109.768 176.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -97.73 -20.0 17.87 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.015 0.376 . . . . 73.43 112.015 -176.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 30.4 t -84.86 -48.55 9.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.125 0.488 . . . . 53.42 110.177 -176.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -109.93 -110.94 3.33 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.935 -0.65 . . . . 62.34 111.776 179.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.55 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 67.2 m -152.67 -70.82 0.15 Allowed 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 110.358 -0.238 . . . . 75.32 110.358 178.176 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.6 mttm -106.22 114.31 28.36 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.329 -0.248 . . . . 54.44 110.329 179.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.674 HG23 ' HG ' ' A' ' 61' ' ' LEU . 2.7 m -108.8 28.8 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 120.968 0.413 . . . . 75.05 110.553 176.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -74.7 89.42 2.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.846 -0.615 . . . . 72.42 110.874 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.562 HG21 ' HZ ' ' A' ' 82' ' ' PHE . 62.9 t -68.01 -38.79 80.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.842 -0.617 . . . . 60.25 109.909 176.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 14.8 tp 70.77 19.23 5.99 Favored 'General case' 0 C--O 1.226 -0.172 0 CA-C-N 115.162 -0.926 . . . . 63.1 111.129 172.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.9 t -109.49 -2.93 17.34 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 107.837 -1.171 . . . . 73.41 107.837 171.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -77.67 6.15 7.9 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 113.786 -1.552 . . . . 72.25 111.904 -177.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.655 ' HA ' ' HB ' ' A' ' 39' ' ' VAL . 1.8 p30 -71.11 -41.5 70.48 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.55 -0.295 . . . . 72.43 111.287 178.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 22.8 m -97.94 -8.78 27.4 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.812 0.339 . . . . 63.21 111.21 -178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.459 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 7.2 mmm180 -111.45 124.63 32.15 Favored Pre-proline 0 C--N 1.324 -0.538 0 C-N-CA 120.719 -0.392 . . . . 61.24 110.146 -175.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.459 ' HD2' ' HA ' ' A' ' 77' ' ' ARG . 10.5 Cg_endo -54.53 122.06 10.89 Favored 'Trans proline' 0 C--O 1.237 0.452 0 C-N-CA 122.51 2.14 . . . . 74.13 111.003 174.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.2 tp -58.27 -22.94 54.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.218 -0.446 . . . . 75.53 111.762 -172.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.57 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -67.99 -37.92 88.16 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.793 -0.718 . . . . 73.41 112.365 178.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.3 t80 -77.18 -21.45 53.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.294 0.569 . . . . 73.43 109.68 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.562 ' HZ ' HG21 ' A' ' 71' ' ' VAL . 49.9 t80 -84.7 1.11 47.92 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.405 -0.816 . . . . 72.15 110.146 178.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.6 t 70.45 90.52 0.08 OUTLIER Pre-proline 0 CA--C 1.531 0.212 0 CA-C-N 115.363 -0.835 . . . . 53.45 110.823 179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 96.1 Cg_endo -86.98 157.38 8.6 Favored 'Trans proline' 0 N--CA 1.457 -0.62 0 C-N-CA 122.876 2.384 . . . . 61.31 112.658 -178.046 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -126.23 146.08 50.13 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.047 -0.524 . . . . 72.13 109.861 178.42 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 -77.54 0.04 24.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.998 0.428 . . . . 61.15 110.766 -178.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -98.1 4.24 60.63 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 121.03 -0.605 . . . . 45.22 111.921 177.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 7.0 m-30 -71.22 124.44 24.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.185 0.517 . . . . 74.22 110.958 -179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.583 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 80.3 mtt85 -107.14 127.28 53.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.382 -0.826 . . . . 74.43 109.639 175.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 97.0 mt -103.52 94.84 5.69 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.162 -0.472 . . . . 71.34 110.303 -179.016 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.901 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 8.5 t-80 -89.34 103.96 16.55 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.322 -0.621 . . . . 54.41 109.322 177.129 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.8 mt -65.43 126.5 24.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.795 -0.638 . . . . 74.41 110.552 -177.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.53 HD11 ' HG2' ' A' ' 60' ' ' GLU . 31.3 mm -81.35 98.77 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.369 0.604 . . . . 61.44 110.656 179.705 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.404 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 24.6 m-20 -98.96 94.31 6.48 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.265 -0.88 . . . . 74.32 109.166 174.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 93.8 mt -82.73 -71.3 0.5 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.169 -0.468 . . . . 72.0 110.647 179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.417 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 5.0 p-10 -153.42 146.14 17.51 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.924 -0.58 . . . . 72.41 110.424 -178.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 5.6 Cg_exo . . . . . 0 C--O 1.244 0.818 0 C-N-CA 123.155 2.57 . . . . 73.52 111.89 178.078 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 110.195 -0.298 . . . . 74.52 110.195 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 157.39 73.07 0.02 OUTLIER Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.674 -0.774 . . . . 75.21 112.405 178.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -85.86 126.6 34.18 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.733 0.302 . . . . 74.43 110.964 178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -117.42 89.0 3.02 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.921 0.867 . . . . 74.43 109.275 171.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.8 t-80 -99.66 -10.63 21.74 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.122 -0.945 . . . . 54.54 110.489 -175.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.3 t60 -68.08 97.73 0.72 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.183 0.516 . . . . 74.22 110.467 178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.8 t60 -109.43 136.9 48.09 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.605 -0.725 . . . . 75.41 109.449 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -105.43 -91.85 0.39 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 111.95 0.352 . . . . 72.24 111.95 -178.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.3 m 59.88 -173.34 0.11 Allowed 'General case' 0 CA--C 1.534 0.332 0 O-C-N 123.528 0.517 . . . . 71.42 110.052 -170.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -129.11 150.55 50.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.313 0.577 . . . . 64.4 111.547 179.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 155.52 79.96 0.03 OUTLIER Glycine 0 N--CA 1.443 -0.845 0 N-CA-C 110.258 -1.137 . . . . 45.01 110.258 -177.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -81.55 57.69 3.42 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.202 0.525 . . . . 74.44 111.942 -169.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -146.08 64.1 1.22 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.536 0.684 . . . . 53.44 110.371 174.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.9 p -161.02 145.65 13.81 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.529 -0.759 . . . . 73.02 109.776 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 15.7 m -105.94 126.22 61.41 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 120.888 0.375 . . . . 63.02 110.914 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.606 ' HB2' ' HB2' ' A' ' 86' ' ' ASP . 74.1 m80 -88.52 80.76 7.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.046 0.45 . . . . 72.32 109.891 175.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 91.6 mt -71.52 121.51 18.82 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.772 -0.649 . . . . 64.34 110.425 -178.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.2 m-70 -85.11 89.32 7.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.861 0.362 . . . . 75.44 110.362 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 67.5 mt -71.23 121.81 21.98 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.071 -0.513 . . . . 70.44 109.866 177.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.9 m -136.43 149.05 48.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.352 -0.385 . . . . 54.53 109.974 -178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -99.34 177.58 5.15 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.743 0.306 . . . . 60.0 110.358 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.402 ' HB3' ' HB2' ' A' ' 94' ' ' ASP . . . -89.72 -37.74 14.35 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.414 -0.587 . . . . 61.45 109.414 173.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -72.77 -31.5 64.94 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.157 -0.928 . . . . 73.04 110.427 177.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.8 mt -113.64 111.25 21.54 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.119 -0.491 . . . . 70.44 110.203 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -78.98 -36.08 41.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 72.15 110.628 -175.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 t -109.65 89.88 3.14 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.987 0.422 . . . . 75.14 109.958 177.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.8 t80 -112.99 112.05 23.24 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.2 -0.454 . . . . 74.22 109.977 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.5 m -75.32 97.37 3.57 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.534 . . . . 54.25 110.703 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.37 30.23 0.76 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.126 -0.488 . . . . 21.42 111.252 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -78.2 76.42 4.71 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.872 0.844 . . . . 74.31 110.724 178.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.574 ' O ' ' HA ' ' A' ' 16' ' ' HIS . . . -96.71 159.7 14.78 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.333 -0.849 . . . . 75.45 110.658 -178.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -92.12 112.44 24.38 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.186 0.517 . . . . 55.33 110.203 178.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 93.5 m-85 -108.38 160.33 15.95 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.768 -0.651 . . . . 73.21 110.77 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.443 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 41.3 m -71.53 139.71 84.02 Favored Pre-proline 0 N--CA 1.45 -0.436 0 CA-C-N 115.581 -0.736 . . . . 72.42 110.4 177.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 36.1 Cg_exo -61.48 -28.15 83.18 Favored 'Trans proline' 0 CA--C 1.529 0.23 0 C-N-CA 122.793 2.329 . . . . 51.42 112.711 -178.729 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 37.8 mt-30 -90.48 15.61 10.43 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.284 0.476 . . . . 63.32 112.284 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 52.8 ttp -85.78 90.61 8.08 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 108.918 -0.771 . . . . 74.13 108.918 173.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 36.0 p -85.01 170.25 13.18 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.0 -0.545 . . . . 65.35 111.466 -175.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.744 ' HA ' HG12 ' A' ' 42' ' ' VAL . 55.4 t -68.6 -33.53 60.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.858 -0.61 . . . . 64.02 109.396 175.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.766 ' HB2' ' HA ' ' A' ' 76' ' ' SER . 38.9 tt0 -54.77 -40.97 69.94 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.677 -0.692 . . . . 60.42 110.442 175.028 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -75.65 -44.22 43.67 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.887 -0.597 . . . . 74.42 111.122 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.744 HG12 ' HA ' ' A' ' 39' ' ' VAL . 4.7 p -69.97 -25.98 29.08 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 CA-C-N 116.394 -0.367 . . . . 55.34 111.55 -175.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -59.46 -39.12 82.62 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-O 120.479 0.18 . . . . 75.14 110.813 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -67.12 -41.18 86.64 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.497 0.665 . . . . 53.14 110.116 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -71.75 -45.47 61.58 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.356 -0.838 . . . . 74.54 111.248 -177.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.5 ' HG ' HG22 ' A' ' 42' ' ' VAL . 95.0 mt -73.28 -23.7 60.33 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.358 -0.383 . . . . 53.2 111.371 -178.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 28.3 t90 -58.48 -52.46 65.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.408 -0.36 . . . . 74.21 110.825 179.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -69.63 -25.95 64.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.342 -0.39 . . . . 74.55 111.409 179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.491 ' NZ ' ' HA ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -67.61 -37.88 83.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.877 0.37 . . . . 74.41 110.564 178.24 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 36.2 m -90.24 -36.86 14.49 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.056 -0.52 . . . . 71.21 111.228 -177.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.94 14.81 81.93 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.716 -0.754 . . . . 52.24 111.541 -177.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.1 m -153.13 166.28 32.98 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.636 -0.876 . . . . 64.54 108.636 -178.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.1 m -60.45 135.84 57.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.894 0.378 . . . . 63.2 110.319 177.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.8 m -86.24 24.93 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.23 -0.441 . . . . 73.52 111.403 -174.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -64.62 -41.52 96.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.849 -0.614 . . . . 75.22 111.537 -176.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.2 m -73.57 -20.01 60.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.977 0.418 . . . . 54.44 111.851 -177.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.0 ttp -90.71 91.23 8.3 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.029 0.442 . . . . 55.24 110.613 -177.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -98.56 145.08 27.18 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.989 -0.55 . . . . 64.21 111.22 -179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 93.5 mt -103.52 108.71 20.09 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.06 -0.518 . . . . 74.22 110.778 178.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.721 ' HG3' HD11 ' A' ' 93' ' ' ILE . 3.2 mm-40 -80.37 108.98 14.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.247 -0.433 . . . . 74.12 110.278 175.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.543 ' HG ' HG23 ' A' ' 69' ' ' VAL . 36.4 tp -91.96 100.4 13.07 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.099 -0.501 . . . . 52.12 110.291 -178.545 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 66.2 m-85 -98.98 152.37 19.88 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.966 -0.561 . . . . 72.31 111.082 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 -126.03 -173.04 2.75 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.58 -0.896 . . . . 75.31 108.58 172.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 50.0 m-20 -113.74 -1.3 13.99 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.14 0.422 . . . . 73.43 112.14 -176.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 21.2 t -103.29 -44.98 5.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.09 0.471 . . . . 53.42 110.136 -177.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -102.42 -105.31 2.9 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.761 -0.654 . . . . 62.34 111.494 177.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.0 m -158.79 -60.43 0.07 Allowed 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.942 0.401 . . . . 75.32 109.943 177.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 64.3 mttm -126.49 120.06 28.75 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 116.082 -0.508 . . . . 54.44 110.154 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.543 HG23 ' HG ' ' A' ' 61' ' ' LEU . 11.9 m -112.09 23.13 4.94 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-O 121.086 0.469 . . . . 75.05 110.77 178.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -73.56 94.17 2.11 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.907 -0.588 . . . . 72.42 111.017 179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 57.9 t -70.11 -51.75 36.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 115.928 -0.578 . . . . 60.25 110.279 177.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 25.5 tp 65.52 27.3 11.65 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 115.65 -0.704 . . . . 63.1 111.066 174.217 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 33.4 t -121.2 -3.71 9.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 122.229 1.014 . . . . 73.41 108.564 174.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -101.43 5.4 42.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 114.047 -1.433 . . . . 72.25 110.442 -177.602 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -60.51 -43.92 96.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.644 -0.707 . . . . 72.43 112.183 -172.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.766 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 54.7 m -93.63 6.93 46.66 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.155 0.502 . . . . 63.21 111.012 -175.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 45.9 mmm-85 -107.35 150.85 40.53 Favored Pre-proline 0 C--N 1.325 -0.492 0 N-CA-C 109.078 -0.712 . . . . 61.24 109.078 177.367 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.402 ' HG2' ' HB2' ' A' ' 81' ' ' PHE . 9.2 Cg_endo -55.71 124.21 15.73 Favored 'Trans proline' 0 N--CA 1.459 -0.542 0 C-N-CA 121.879 1.72 . . . . 74.13 110.605 172.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.881 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 27.8 tp -58.16 -38.13 76.04 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.991 0.424 . . . . 75.53 111.498 -173.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.16 -12.65 69.1 Favored Glycine 0 CA--C 1.519 0.34 0 C-N-CA 121.423 -0.418 . . . . 73.41 112.644 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.402 ' HB2' ' HG2' ' A' ' 78' ' ' PRO . 61.3 t80 -84.24 -27.3 28.04 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.238 -0.653 . . . . 73.43 109.238 177.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -82.96 -32.31 27.17 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.238 -0.892 . . . . 72.15 109.354 173.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 20.8 t 72.43 87.27 0.1 Allowed Pre-proline 0 C--O 1.235 0.299 0 CA-C-N 115.055 -0.975 . . . . 53.45 110.992 176.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.881 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 60.8 Cg_endo -96.0 -166.84 0.12 Allowed 'Trans proline' 0 N--CA 1.452 -0.965 0 C-N-CA 123.392 2.728 . . . . 61.31 112.008 176.012 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -137.09 157.31 46.98 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.401 -0.363 . . . . 72.13 110.146 178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.606 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . 7.8 p-10 -80.84 4.0 20.66 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.187 -0.46 . . . . 61.15 110.998 -178.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -90.31 -6.02 69.17 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 120.583 -0.818 . . . . 45.22 112.316 179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.526 ' HB3' HD11 ' A' ' 61' ' ' LEU . 47.7 m-85 -87.4 153.81 21.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.025 0.441 . . . . 74.22 110.752 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.423 HH11 ' HD2' ' A' ' 89' ' ' ARG . 57.4 mtt85 -122.66 132.56 54.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.963 -0.562 . . . . 74.43 110.918 -176.039 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.1 mt -95.02 96.25 9.14 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.989 -0.551 . . . . 71.34 109.659 178.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 -90.73 97.06 10.95 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.047 -0.524 . . . . 54.41 110.474 -177.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.6 mt -65.65 124.07 19.87 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.854 -0.612 . . . . 74.41 110.193 178.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.721 HD11 ' HG3' ' A' ' 60' ' ' GLU . 46.4 mm -80.09 116.93 25.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 121.029 0.442 . . . . 61.44 110.972 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.402 ' HB2' ' HB3' ' A' ' 22' ' ' ALA . 13.0 m-20 -88.94 110.88 21.48 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.815 -0.629 . . . . 74.32 109.781 176.37 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.63 ' HG ' HG22 ' A' ' 93' ' ' ILE . 96.9 mt -120.08 -80.11 0.61 Allowed 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.919 0.39 . . . . 72.0 110.546 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 9.1 p-10 -155.41 120.2 2.52 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.104 -0.498 . . . . 72.41 110.548 -178.011 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 11.2 Cg_endo . . . . . 0 C--O 1.248 1.013 0 C-N-CA 123.436 2.757 . . . . 73.52 111.632 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.6 mpp? . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.942 0.401 . . . . 74.52 110.216 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.84 155.37 22.88 Favored Glycine 0 N--CA 1.449 -0.46 0 N-CA-C 110.922 -0.871 . . . . 75.21 110.922 -174.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 45.2 m80 -140.57 105.28 4.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 117.455 0.628 . . . . 74.43 110.931 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.0 p80 -88.19 67.2 8.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 122.22 1.01 . . . . 74.43 109.441 171.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.9 t-80 -95.31 1.69 54.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.847 -1.07 . . . . 54.54 110.43 -175.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -90.07 129.94 36.31 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.208 -0.451 . . . . 74.22 110.681 -177.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 66.4 t60 -142.74 142.42 31.95 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.826 -0.805 . . . . 75.41 108.826 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -81.16 -78.81 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 111.878 0.325 . . . . 72.24 111.878 -176.038 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.8 m 72.73 163.73 0.28 Allowed 'General case' 0 N--CA 1.467 0.41 0 O-C-N 123.866 0.728 . . . . 71.42 110.589 -172.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -126.87 171.55 11.17 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 116.13 -0.486 . . . . 64.4 109.751 176.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 128.63 132.71 3.57 Favored Glycine 0 N--CA 1.443 -0.877 0 C-N-CA 120.581 -0.819 . . . . 45.01 112.196 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -92.1 77.06 5.35 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.572 -0.529 . . . . 74.44 109.572 178.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -156.27 29.4 0.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.803 -0.635 . . . . 53.44 110.812 -175.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.602 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 14.7 p -137.6 119.52 15.33 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.064 -0.516 . . . . 73.02 111.677 -177.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 30.6 m -83.67 123.09 38.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 108.562 -0.903 . . . . 63.02 108.562 169.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -89.46 94.94 10.07 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.082 0.468 . . . . 72.32 110.511 -172.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.496 HD13 HD11 ' A' ' 90' ' ' LEU . 88.9 mt -101.97 123.57 46.1 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.675 -0.693 . . . . 64.34 110.359 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 32.4 m-70 -98.38 107.41 19.86 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.136 -0.69 . . . . 75.44 109.136 179.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.4 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 61.8 mt -81.15 133.91 28.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.543 -0.299 . . . . 70.44 110.66 -175.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.5 m -142.88 142.42 31.75 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.316 -0.402 . . . . 54.53 110.446 178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -93.95 168.48 10.94 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.507 -0.553 . . . . 60.0 109.507 -178.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.466 ' HB2' ' H ' ' A' ' 94' ' ' ASP . . . -73.97 -57.04 4.23 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.879 -0.329 . . . . 61.45 111.232 179.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 -71.74 -45.01 63.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.228 0.537 . . . . 73.04 110.313 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.3 mt -80.28 81.77 6.46 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.242 -0.651 . . . . 70.44 109.242 172.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -74.84 -29.6 61.11 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.731 -0.668 . . . . 72.15 110.442 -176.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 9.4 t -97.95 60.76 1.5 Allowed 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.915 -0.772 . . . . 75.14 108.915 173.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -106.07 94.42 5.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.543 -0.753 . . . . 74.22 109.668 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.4 m -82.73 82.05 8.23 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.006 -0.543 . . . . 54.25 110.802 -178.475 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.4 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -113.17 97.65 6.63 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.093 -0.503 . . . . 21.42 109.818 175.199 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -101.63 125.05 48.22 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 116.359 -0.382 . . . . 74.31 110.526 -175.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -139.71 168.49 19.7 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.147 0.499 . . . . 75.45 111.558 -176.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.602 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 30.2 ptt180 -133.52 130.72 38.89 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.631 -0.713 . . . . 55.33 109.828 178.487 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -128.67 -170.6 2.29 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.479 -0.328 . . . . 73.21 110.386 -178.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.448 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 9.5 p -103.19 148.5 35.75 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 116.335 -0.393 . . . . 72.42 110.571 179.456 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 13.4 Cg_exo -70.76 2.39 4.14 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 123.026 2.484 . . . . 51.42 112.641 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.6 mt-30 -85.45 -13.53 48.93 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.943 -0.571 . . . . 63.32 110.362 178.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 57.5 ttp -90.9 115.56 28.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.461 . . . . 74.13 110.504 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 18.8 p -96.16 175.13 6.57 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.096 -0.502 . . . . 65.35 110.389 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.468 HG12 ' HE3' ' A' ' 43' ' ' LYS . 48.0 t -66.07 -39.09 83.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.972 0.415 . . . . 64.02 110.107 178.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -62.18 -33.04 73.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.255 0.55 . . . . 60.42 110.497 178.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.33 -46.96 75.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.817 -0.629 . . . . 74.42 111.173 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.9 p -71.79 -30.86 39.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.262 0 C-N-CA 120.759 -0.376 . . . . 55.34 110.341 -178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.468 ' HE3' HG12 ' A' ' 39' ' ' VAL . 96.3 mttt -57.35 -46.39 83.36 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.934 0.397 . . . . 75.14 110.589 176.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -59.38 -41.33 89.09 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.577 -0.738 . . . . 53.14 111.04 -179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -73.93 -35.66 64.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.37 -0.377 . . . . 74.54 110.909 -175.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 91.8 mt -67.56 -35.34 78.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.356 0.598 . . . . 53.2 109.891 176.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.536 ' O ' ' HA2' ' A' ' 51' ' ' GLY . 34.2 t90 -68.14 -17.34 64.32 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.122 -0.944 . . . . 74.21 110.679 176.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.8 mttm -97.91 -37.36 9.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.478 -0.328 . . . . 74.55 111.053 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -63.34 -52.9 59.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.073 -0.512 . . . . 74.41 111.325 -177.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 72.5 m -124.83 -3.35 7.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.611 -0.268 . . . . 71.21 111.499 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.536 ' HA2' ' O ' ' A' ' 47' ' ' TRP . . . 70.97 29.03 69.55 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.543 -0.837 . . . . 52.24 111.283 -175.164 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 m -74.6 112.26 10.62 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.737 0.303 . . . . 64.54 110.982 -177.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.0 m -64.23 119.75 10.84 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.558 -0.534 . . . . 63.2 109.558 174.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.8 m -71.25 -6.16 6.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.197 -0.456 . . . . 73.52 112.075 -174.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 60.8 t30 -68.05 -35.54 78.4 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.261 0.553 . . . . 75.22 110.079 174.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.404 ' O ' ' HB2' ' A' ' 95' ' ' LEU . 3.6 p -101.65 21.69 14.0 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.661 -0.7 . . . . 54.44 111.204 -177.445 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.441 ' HB3' ' HE2' ' A' ' 57' ' ' MET . 48.2 ttp -145.88 100.29 3.38 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.105 0.479 . . . . 55.24 110.174 178.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -87.47 145.07 26.42 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.951 -0.568 . . . . 64.21 110.766 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 91.9 mt -109.01 103.47 12.5 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.155 0.502 . . . . 74.22 110.091 177.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -86.1 97.69 10.46 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.759 -0.655 . . . . 74.12 110.564 178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.619 ' HG ' HG23 ' A' ' 69' ' ' VAL . 34.0 tp -84.79 97.36 9.67 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.781 -0.645 . . . . 52.12 109.528 178.272 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 67.8 m-85 -94.5 159.03 15.28 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.746 -0.661 . . . . 72.31 110.529 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -118.11 -168.89 1.59 Allowed 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 108.159 -1.052 . . . . 75.31 108.159 168.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -103.76 -21.59 13.66 Favored 'General case' 0 C--N 1.321 -0.637 0 C-N-CA 120.629 -0.429 . . . . 73.43 111.95 -175.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.5 t -100.95 -41.79 6.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.838 0.352 . . . . 53.42 111.22 -171.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.76 -105.76 2.8 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.64 -0.79 . . . . 62.34 112.237 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.9 m -157.63 -68.79 0.1 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.991 0.424 . . . . 75.32 110.517 179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 46.2 mttm -117.19 124.18 48.49 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.067 -0.515 . . . . 54.44 111.047 -175.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.619 HG23 ' HG ' ' A' ' 61' ' ' LEU . 12.1 m -111.91 6.91 8.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.351 0.596 . . . . 75.05 110.11 173.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.585 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -81.51 97.46 7.82 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.512 -0.767 . . . . 72.42 110.448 176.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.518 ' HB ' ' OD2' ' A' ' 74' ' ' ASP . 47.4 t -82.19 -41.58 18.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.571 -0.286 . . . . 60.25 110.646 -179.563 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 10.8 mp 65.57 30.4 10.6 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.574 0.702 . . . . 63.1 111.281 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 7.9 t -116.4 11.2 14.88 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 106.462 -1.681 . . . . 73.41 106.462 166.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.518 ' OD2' ' HB ' ' A' ' 71' ' ' VAL . 1.2 p30 -135.35 -0.43 2.69 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 113.184 -1.825 . . . . 72.25 110.203 -173.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -61.06 -36.25 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.767 -0.651 . . . . 72.43 111.824 -173.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.39 14.92 20.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.152 0.501 . . . . 63.21 110.729 -179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.541 ' HB3' ' HD2' ' A' ' 78' ' ' PRO . 45.0 mmm-85 -106.09 165.13 13.57 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.229 -0.656 . . . . 61.24 109.229 178.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.541 ' HD2' ' HB3' ' A' ' 77' ' ' ARG . 20.6 Cg_endo -62.29 110.79 1.11 Allowed 'Trans proline' 0 CA--C 1.53 0.318 0 C-N-CA 121.993 1.795 . . . . 74.13 111.759 174.815 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.565 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 50.5 tp -61.97 -27.93 69.2 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.113 -0.494 . . . . 75.53 111.164 -177.17 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.78 -22.47 64.33 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 121.261 -0.495 . . . . 73.41 112.741 178.405 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 52.4 t80 -78.98 -22.36 45.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.105 0.478 . . . . 73.43 109.992 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -80.04 -25.69 40.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.028 -0.533 . . . . 72.15 110.882 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.5 t 65.38 85.46 0.16 Allowed Pre-proline 0 CA--C 1.531 0.245 0 CA-C-N 115.683 -0.69 . . . . 53.45 109.827 -174.306 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.565 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 6.1 Cg_exo -74.52 156.03 45.2 Favored 'Trans proline' 0 C--O 1.237 0.435 0 C-N-CA 123.259 2.639 . . . . 61.31 113.258 -175.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 92.6 m-85 -100.63 -176.03 3.07 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.303 -0.862 . . . . 72.13 110.048 178.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -107.2 8.25 29.9 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.684 0.278 . . . . 61.15 111.303 -177.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -113.1 25.58 11.29 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 120.535 -0.841 . . . . 45.22 112.948 -178.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.583 ' HB3' HD11 ' A' ' 61' ' ' LEU . 14.0 m-30 -80.83 125.35 29.98 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.982 0.42 . . . . 74.22 111.33 -177.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 75.1 mtt180 -108.11 116.32 31.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.02 -0.536 . . . . 74.43 110.759 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.496 HD11 HD13 ' A' ' 17' ' ' LEU . 95.9 mt -88.15 86.66 7.13 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.21 -0.45 . . . . 71.34 109.978 177.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -91.8 97.88 11.26 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.862 0.363 . . . . 54.41 110.075 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.5 mt -67.24 126.61 27.21 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.754 -0.657 . . . . 74.41 110.496 -179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 51.3 mm -88.06 91.17 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.287 -0.635 . . . . 61.44 109.287 175.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.466 ' H ' ' HB2' ' A' ' 22' ' ' ALA . 19.7 m-20 -71.68 103.59 3.1 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.146 -0.934 . . . . 74.32 111.396 -178.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 56' ' ' SER . 90.9 mt -105.17 -161.98 0.85 Allowed 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.893 -0.78 . . . . 72.0 108.893 173.045 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.47 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 8.8 p-10 -81.63 118.39 71.99 Favored Pre-proline 0 C--N 1.321 -0.666 0 CA-C-O 120.98 0.419 . . . . 72.41 110.695 -178.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 12.2 Cg_endo . . . . . 0 N--CA 1.45 -1.05 0 C-N-CA 123.196 2.597 . . . . 73.52 111.562 176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 ptm . . . . . 0 N--CA 1.479 1.003 0 N-CA-C 110.522 -0.177 . . . . 73.35 110.522 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.401 ' O ' ' HB2' ' A' ' 3' ' ' HIS . . . 75.61 -66.46 2.37 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 121.365 -0.445 . . . . 62.53 113.777 174.023 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 2' ' ' GLY . 90.2 m-70 67.95 89.19 0.1 Allowed 'General case' 0 N--CA 1.463 0.224 0 C-N-CA 123.039 0.535 . . . . 74.15 109.832 -171.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -58.26 103.35 0.14 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.593 -0.731 . . . . 72.41 110.875 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 -100.66 95.23 6.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.85 -0.614 . . . . 73.12 109.87 -178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 -143.97 93.73 2.49 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 116.106 -0.497 . . . . 71.04 109.679 179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -137.48 137.77 39.04 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.886 -0.597 . . . . 71.11 109.951 -176.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.8 m-70 -92.34 143.59 26.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.198 -0.456 . . . . 73.14 110.348 -179.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.2 t -158.13 100.35 1.7 Allowed 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.975 0.417 . . . . 75.42 111.139 178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 20.1 t-160 -92.74 -0.2 57.31 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.069 -0.715 . . . . 62.54 109.069 172.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -79.46 -35.4 29.43 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.779 -0.724 . . . . 74.12 111.379 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.8 t0 61.44 41.32 12.9 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.736 0.779 . . . . 65.33 110.109 178.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -63.05 -28.57 70.18 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.193 -0.912 . . . . 72.31 110.51 177.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.7 m -59.68 125.05 22.09 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.545 -0.752 . . . . 52.51 111.22 -176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.0 m -70.59 137.65 23.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.849 -0.614 . . . . 62.13 109.589 175.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.7 m80 -93.54 83.55 4.53 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-O 121.136 0.493 . . . . 45.11 110.155 -174.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 93.5 mt -96.6 106.07 18.27 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.825 -0.625 . . . . 75.21 110.008 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -79.78 126.12 30.56 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.178 -0.465 . . . . 71.21 110.941 -176.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.532 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 76.7 mt -85.04 120.7 35.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.535 -0.757 . . . . 74.12 110.512 -178.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.525 ' HB ' ' HA ' ' A' ' 91' ' ' HIS . 5.1 m -96.72 92.71 6.32 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.838 -0.619 . . . . 72.52 109.375 177.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 7.8 t-160 -81.41 129.16 34.53 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.699 -0.682 . . . . 73.43 110.227 -176.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.02 -56.64 4.84 Favored 'General case' 0 C--N 1.332 -0.18 0 N-CA-C 112.046 0.387 . . . . 65.11 112.046 -174.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -61.55 -61.74 2.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 74.23 111.554 -178.138 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.9 mp -96.97 88.02 4.41 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.466 -0.568 . . . . 72.41 109.466 175.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -85.55 -6.23 59.2 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.949 -0.568 . . . . 72.13 111.746 -175.175 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.4 t -97.93 1.65 48.24 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.344 -0.613 . . . . 61.42 109.344 177.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -95.32 98.67 10.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.525 -0.761 . . . . 62.24 109.585 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.5 m -86.31 102.76 14.27 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 116.039 -0.528 . . . . 73.25 110.804 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -123.19 141.66 51.74 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.862 -0.608 . . . . 53.51 109.688 175.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -126.09 145.63 50.26 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 110.004 -0.369 . . . . 65.32 110.004 177.539 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -92.44 94.72 9.25 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.949 -0.569 . . . . 73.44 109.636 178.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -101.53 91.16 4.33 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.841 0.829 . . . . 73.14 110.456 -178.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -130.89 150.62 51.97 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.518 -0.765 . . . . 71.21 109.911 179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.401 ' C ' ' H ' ' A' ' 36' ' ' GLN . 31.7 m -65.1 135.41 96.27 Favored Pre-proline 0 C--N 1.323 -0.581 0 CA-C-N 116.091 -0.504 . . . . 74.05 109.898 177.132 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.568 ' HB2' ' N ' ' A' ' 80' ' ' GLY . 63.4 Cg_endo -71.53 20.89 0.25 Allowed 'Trans proline' 0 CA--C 1.533 0.433 0 C-N-CA 123.144 2.563 . . . . 65.31 113.398 -174.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.401 ' H ' ' C ' ' A' ' 34' ' ' SER . 66.2 mt-30 -88.26 -11.61 46.06 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.383 0.611 . . . . 73.5 109.633 178.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.2 ttt -95.98 146.95 24.19 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.251 -0.886 . . . . 73.52 110.192 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.3 p -98.06 149.3 22.62 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.18 -0.463 . . . . 71.35 110.527 178.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.479 ' O ' HG12 ' A' ' 42' ' ' VAL . 11.1 p -64.36 -22.12 30.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.32 0 CA-C-O 121.358 0.599 . . . . 73.4 110.227 178.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -57.46 -35.92 70.77 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.597 -0.729 . . . . 54.1 111.226 176.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.71 -17.29 48.41 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.397 0.517 . . . . 75.23 112.397 -173.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.479 HG12 ' O ' ' A' ' 39' ' ' VAL . 9.3 p -92.76 -29.2 4.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 C-N-CA 120.739 -0.384 . . . . 75.34 111.455 -176.169 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -61.99 -52.42 64.07 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.795 0.331 . . . . 65.55 111.127 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -59.04 -36.94 75.85 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.146 0.498 . . . . 70.34 110.862 178.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.422 ' HB2' ' HE3' ' A' ' 45' ' ' LYS . 29.5 ttmt -66.87 -33.41 75.54 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.841 -0.618 . . . . 74.11 111.106 -176.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 97.4 mt -75.15 -42.18 56.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.865 0.364 . . . . 64.42 110.326 176.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 83.8 t90 -58.35 -42.39 86.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.896 -0.593 . . . . 62.35 111.086 179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.37 -8.62 59.77 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.458 -0.337 . . . . 75.33 111.546 -176.781 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -98.99 -54.97 2.84 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 121.028 -0.269 . . . . 75.55 111.309 179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 60.8 m -83.77 -36.49 23.56 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.433 -0.349 . . . . 73.23 111.371 -175.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 99.15 -5.62 59.34 Favored Glycine 0 N--CA 1.453 -0.178 0 C-N-CA 120.565 -0.826 . . . . 40.43 112.664 179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.4 t -87.72 162.67 16.93 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.786 -0.45 . . . . 65.02 109.786 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.5 m -91.81 122.66 34.56 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.734 0.302 . . . . 74.24 111.239 -174.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.2 m -74.11 -15.85 16.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.324 -0.398 . . . . 73.03 111.278 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.7 t30 -71.15 -16.83 62.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.244 0.545 . . . . 63.42 110.188 173.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.7 m -107.0 4.27 26.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.924 -0.58 . . . . 52.42 110.249 176.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.7 ttt -85.54 100.9 12.23 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.88 -0.6 . . . . 71.12 110.484 -177.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -79.71 110.53 15.14 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.939 -0.573 . . . . 74.25 111.001 -178.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.415 ' CD2' HG12 ' A' ' 92' ' ' ILE . 94.6 mt -109.87 110.43 21.39 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.847 -0.615 . . . . 65.22 110.189 177.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.808 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 44.2 mt-10 -93.01 104.56 16.76 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.808 0.337 . . . . 74.23 110.324 179.31 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.483 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 51.4 tp -85.31 94.09 8.86 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.974 -0.557 . . . . 74.41 109.754 178.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.596 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 16.9 m-85 -89.13 149.49 23.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.025 -0.534 . . . . 64.25 111.214 -178.524 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.446 ' HB3' HG13 ' A' ' 69' ' ' VAL . 4.5 p-10 -85.12 0.41 51.76 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.349 -0.841 . . . . 64.31 109.391 173.267 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.41 ' HB3' ' O ' ' A' ' 63' ' ' ASP . 26.0 t70 89.19 -24.75 0.09 Allowed 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.959 1.304 . . . . 71.03 112.054 178.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 54.3 p -78.88 -28.6 44.14 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.288 -0.565 . . . . 62.34 109.84 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 140.26 -3.92 2.51 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.826 -0.702 . . . . 75.11 112.434 177.587 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.4 m -101.09 142.7 32.16 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 120.78 0.324 . . . . 55.14 110.551 -178.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -86.79 126.97 34.97 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.713 -0.477 . . . . 74.5 109.713 175.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.446 HG13 ' HB3' ' A' ' 63' ' ' ASP . 31.0 m -102.88 19.96 3.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-O 121.738 0.78 . . . . 71.05 110.036 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.483 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -84.63 105.58 15.54 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.189 -0.914 . . . . 75.22 111.613 -177.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -111.08 -31.88 2.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.915 -0.584 . . . . 74.41 109.791 171.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.416 HD13 ' HA ' ' A' ' 72' ' ' LEU . 4.3 mm? 55.37 81.37 0.12 Allowed 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.174 -0.921 . . . . 55.3 113.129 174.302 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 13.7 t -127.69 7.13 6.22 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.08 -0.711 . . . . 52.41 109.08 170.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -114.36 26.23 10.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.368 -0.833 . . . . 61.35 110.571 -178.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.404 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 3.4 t70 -54.46 -51.8 63.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 71.44 111.135 -179.575 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.2 m -99.27 5.69 46.51 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.742 -0.663 . . . . 54.35 111.482 -175.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 23.4 mtm180 -100.08 150.5 36.94 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-N 116.592 -0.276 . . . . 62.41 110.536 -179.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_exo -67.53 125.55 13.51 Favored 'Trans proline' 0 C--O 1.235 0.365 0 C-N-CA 122.477 2.118 . . . . 70.12 111.311 174.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 44.7 tp -61.49 -24.82 66.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.332 -0.394 . . . . 64.15 111.521 -176.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.568 ' N ' ' HB2' ' A' ' 35' ' ' PRO . . . -65.0 -31.1 79.81 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 121.264 -0.493 . . . . 64.4 112.459 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -73.99 -40.33 63.03 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.753 -0.462 . . . . 74.22 109.753 178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -65.04 -42.87 93.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.596 -0.729 . . . . 64.34 110.037 176.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.1 t 63.33 89.72 0.1 Allowed Pre-proline 0 C--O 1.233 0.197 0 CA-C-N 115.401 -0.818 . . . . 64.31 110.55 178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -80.93 159.6 21.05 Favored 'Trans proline' 0 N--CA 1.457 -0.637 0 C-N-CA 122.569 2.179 . . . . 74.45 112.849 -177.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -57.93 -25.53 61.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.495 -0.775 . . . . 74.31 111.785 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 26.9 t70 68.35 88.06 0.11 Allowed 'General case' 0 N--CA 1.47 0.545 0 CA-C-O 121.31 0.576 . . . . 72.54 110.204 -176.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 142.03 60.77 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 CA-C-N 115.709 -0.678 . . . . 73.23 111.424 -176.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -122.12 153.57 38.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.27 -0.27 . . . . 73.41 110.27 -178.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.596 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 40.4 mmt180 -97.06 108.99 21.83 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.298 -0.41 . . . . 63.04 110.349 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.532 ' HB2' ' HA ' ' A' ' 19' ' ' ILE . 98.7 mt -83.29 85.65 7.18 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.711 -0.477 . . . . 72.32 109.711 175.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.808 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 12.1 t-80 -81.65 99.42 8.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.015 0.436 . . . . 55.51 110.258 -177.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.415 HG12 ' CD2' ' A' ' 59' ' ' LEU . 57.9 mt -86.12 119.87 35.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.753 -0.658 . . . . 42.31 109.883 179.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.446 HG22 ' HB3' ' A' ' 95' ' ' LEU . 46.7 mm -82.0 112.6 20.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 116.185 -0.461 . . . . 64.54 110.22 176.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -79.56 72.11 6.21 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.198 0.523 . . . . 53.32 109.684 176.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.536 HD23 ' H ' ' A' ' 95' ' ' LEU . 2.4 pt? -97.29 9.09 43.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.955 -0.566 . . . . 64.03 110.494 -178.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.427 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 18.2 t70 -82.24 107.62 9.3 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.684 -0.689 . . . . 72.5 110.192 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.427 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 9.5 Cg_endo . . . . . 0 C--O 1.249 1.067 0 C-N-CA 123.322 2.681 . . . . 72.55 112.096 -177.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.0 ptm . . . . . 0 N--CA 1.483 1.218 0 N-CA-C 110.098 -0.334 . . . . 73.35 110.098 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 168.58 -149.24 13.6 Favored Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.426 -0.893 . . . . 62.53 112.449 177.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 63.02 89.54 0.09 Allowed 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 121.582 0.705 . . . . 74.15 110.361 -178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.4 t-80 -96.29 101.86 13.56 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.407 -0.815 . . . . 72.41 111.13 -171.485 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.8 t-80 -96.49 94.93 7.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.288 0.566 . . . . 73.12 110.0 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 60.5 t60 -152.75 33.25 0.49 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.409 -0.814 . . . . 71.04 109.255 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -73.9 113.42 11.03 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.207 -0.664 . . . . 71.11 109.207 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -87.39 108.09 18.83 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.106 -0.497 . . . . 73.14 111.416 -169.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -124.79 139.04 54.21 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.616 -0.72 . . . . 75.42 109.132 175.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -124.03 98.03 5.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.311 0.577 . . . . 62.54 111.303 -176.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -162.15 -106.37 0.2 Allowed Glycine 0 N--CA 1.448 -0.549 0 N-CA-C 110.831 -0.908 . . . . 74.12 110.831 176.006 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -135.54 43.14 2.64 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.99 0.9 . . . . 65.33 108.719 172.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -74.44 44.44 0.2 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.678 -1.146 . . . . 72.31 111.143 -178.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.8 m -147.41 95.09 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.302 0.482 . . . . 52.51 112.302 -174.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 29.5 m -71.69 145.7 12.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.574 -0.899 . . . . 62.13 108.574 167.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.4 m80 -95.82 88.09 4.84 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.186 -0.606 . . . . 45.11 110.872 -174.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.6 ' HB3' HD11 ' A' ' 90' ' ' LEU . 98.0 mt -111.92 137.66 49.6 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.019 -0.537 . . . . 75.21 110.236 176.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -112.64 111.22 21.87 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.478 -0.328 . . . . 71.21 110.208 -177.599 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.535 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 68.3 mt -74.05 118.31 19.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.91 0.386 . . . . 74.12 110.443 -178.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.593 ' HB ' ' HA ' ' A' ' 91' ' ' HIS . 5.4 m -116.57 108.94 16.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.025 -0.534 . . . . 72.52 110.653 -176.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.418 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 0.2 OUTLIER -87.83 151.98 22.45 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.341 -0.614 . . . . 73.43 109.341 179.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -87.99 -54.74 4.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.81 0.338 . . . . 65.11 111.621 -174.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -79.22 -32.09 43.88 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.162 0.506 . . . . 74.23 110.544 -178.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.496 ' HB3' ' HB2' ' A' ' 27' ' ' PHE . 8.1 mp -99.81 83.35 2.73 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.036 -0.727 . . . . 72.41 109.036 173.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -75.87 -13.9 60.27 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.826 -0.625 . . . . 72.13 111.962 -172.676 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 8.4 t -109.67 27.14 9.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.324 0.583 . . . . 61.42 110.223 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.496 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 70.5 t80 -81.1 89.68 5.98 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 115.866 -0.606 . . . . 62.24 109.398 176.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 14.6 m -78.65 102.2 7.89 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.081 -0.509 . . . . 73.25 110.555 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.41 123.77 20.68 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 116.072 -0.513 . . . . 53.51 110.521 178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -101.05 143.56 31.03 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.003 -0.544 . . . . 65.32 109.673 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.5 ' HB3' ' HB2' ' A' ' 17' ' ' LEU . . . -117.9 99.87 7.2 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.139 -0.482 . . . . 73.44 110.291 178.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 11.3 ptt180 -122.27 103.14 8.56 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.84 -0.618 . . . . 73.14 110.757 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -126.34 173.12 9.57 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.384 -0.825 . . . . 71.21 109.475 177.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.2 p -67.48 143.97 97.5 Favored Pre-proline 0 C--N 1.323 -0.574 0 CA-C-N 116.596 -0.274 . . . . 74.05 110.413 178.667 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.588 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 34.8 Cg_endo -65.34 -2.77 6.44 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.984 2.456 . . . . 65.31 112.905 -177.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.443 ' HA ' ' HB3' ' A' ' 78' ' ' PRO . 74.9 mt-30 -85.47 -7.53 58.86 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.079 0.466 . . . . 73.5 110.421 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.1 ttt -82.79 151.07 26.27 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.849 -0.614 . . . . 73.52 110.32 177.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.439 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 23.9 p -120.71 164.6 16.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.218 -0.446 . . . . 71.35 109.992 176.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.402 ' O ' HG12 ' A' ' 42' ' ' VAL . 10.6 p -65.49 -21.22 28.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 CA-C-O 121.508 0.671 . . . . 73.4 110.036 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -54.27 -36.65 63.85 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.234 -0.894 . . . . 54.1 111.043 175.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.63 -35.23 75.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.998 -0.546 . . . . 75.23 111.745 -176.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.402 HG12 ' O ' ' A' ' 39' ' ' VAL . 9.2 p -82.96 -28.73 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 C-N-CA 120.569 -0.452 . . . . 75.34 110.213 -178.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 29.6 mmtp -62.64 -54.06 45.16 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.268 -0.424 . . . . 65.55 110.226 174.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -60.64 -35.01 75.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.677 -0.692 . . . . 70.34 110.69 179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt -62.78 -53.69 50.42 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.94 -0.573 . . . . 74.11 110.835 -179.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 84.5 mt -70.85 -28.34 64.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 64.42 110.936 -177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 58.4 t90 -55.13 -53.78 51.6 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.827 -0.624 . . . . 62.35 111.097 176.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' NZ ' ' HB2' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -90.42 9.79 27.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.832 0.349 . . . . 75.33 111.129 -178.859 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -100.7 -53.04 3.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.068 0.461 . . . . 75.55 110.043 177.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 79.6 m -100.39 -21.86 15.26 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.051 -0.522 . . . . 73.23 111.408 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 67.06 40.49 93.11 Favored Glycine 0 C--N 1.331 0.286 0 C-N-CA 120.524 -0.846 . . . . 40.43 111.905 -178.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 t -105.87 172.31 6.87 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.914 0.388 . . . . 65.02 110.435 -176.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.9 m -85.04 135.16 34.13 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.093 -0.503 . . . . 74.24 110.366 -177.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.2 m -71.55 -28.01 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.276 -0.42 . . . . 73.03 111.972 -176.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.89 -26.87 63.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.24 0.543 . . . . 63.42 110.116 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.8 m -79.47 -9.64 59.65 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.661 -0.7 . . . . 52.42 110.677 178.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.599 ' HE2' HD21 ' A' ' 59' ' ' LEU . 27.9 ttt -95.0 85.19 4.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.055 0.455 . . . . 71.12 110.303 -178.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -89.1 109.41 20.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.843 -0.617 . . . . 74.25 110.213 178.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.599 HD21 ' HE2' ' A' ' 57' ' ' MET . 94.1 mt -89.85 105.06 17.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.064 -0.516 . . . . 65.22 110.143 178.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.663 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 50.1 mm-40 -78.56 86.49 4.56 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.924 -0.58 . . . . 74.23 110.324 178.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.498 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 31.0 tp -89.43 104.13 16.71 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.541 -0.754 . . . . 74.41 110.087 -178.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.499 ' CZ ' ' HB3' ' A' ' 60' ' ' GLU . 50.9 m-85 -102.18 151.44 22.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.99 -0.55 . . . . 64.25 110.561 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -84.24 -2.14 56.42 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.058 -0.519 . . . . 64.31 109.682 173.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 35.0 t70 81.28 -2.06 1.71 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 114.64 -1.164 . . . . 71.03 111.63 177.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 6.9 m -96.73 -38.42 9.91 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.687 -0.486 . . . . 62.34 109.687 173.567 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 150.32 -11.1 0.88 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.807 -0.711 . . . . 75.11 112.568 178.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 62.8 m -92.13 131.82 37.09 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.054 0.454 . . . . 55.14 110.601 -178.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 25.3 pttm -71.27 127.97 34.34 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-O 121.212 0.53 . . . . 74.5 109.653 175.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.495 HG23 ' HG ' ' A' ' 61' ' ' LEU . 29.6 m -113.96 17.87 7.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.89 0 CA-C-O 121.588 0.709 . . . . 71.05 109.701 179.426 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.498 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -84.01 60.51 5.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.072 -0.967 . . . . 75.22 111.536 -177.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.8 p -116.05 87.46 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 122.083 0.944 . . . . 74.41 109.36 173.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 1.032 ' HB3' ' HB3' ' A' ' 75' ' ' ASP . 3.0 mm? -90.68 82.81 5.74 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.473 -0.785 . . . . 55.3 111.274 -172.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 43.4 t -84.79 -30.51 24.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.725 -0.67 . . . . 52.41 109.412 173.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -103.58 27.42 7.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.401 -0.818 . . . . 61.35 109.753 -179.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 1.032 ' HB3' ' HB3' ' A' ' 72' ' ' LEU . 20.0 p-10 -61.61 -27.29 68.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.674 -0.693 . . . . 71.44 111.472 -177.518 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.2 p -98.29 14.77 26.71 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.929 -0.578 . . . . 54.35 111.178 -179.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 35.7 mtm180 -129.35 161.08 60.84 Favored Pre-proline 0 C--N 1.33 -0.257 0 N-CA-C 109.982 -0.377 . . . . 62.41 109.982 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.443 ' HB3' ' HA ' ' A' ' 36' ' ' GLN . 51.0 Cg_exo -55.8 125.91 20.66 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.508 2.139 . . . . 70.12 112.434 178.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 34.9 tp -60.59 -34.59 74.43 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.176 0.512 . . . . 64.15 111.183 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.588 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -70.92 -14.9 73.63 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.78 -0.646 . . . . 64.4 113.01 -177.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -70.11 -45.02 67.77 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.583 -0.525 . . . . 74.22 109.583 177.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.0 t80 -75.6 -40.35 56.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.828 -0.624 . . . . 64.34 110.271 177.498 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.5 m 62.01 88.82 0.11 Allowed Pre-proline 0 CA--C 1.53 0.183 0 CA-C-N 115.758 -0.656 . . . . 64.31 110.697 -178.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.672 ' HB2' ' HE2' ' A' ' 88' ' ' PHE . 2.8 Cg_endo -80.96 -169.02 0.71 Allowed 'Trans proline' 0 N--CA 1.456 -0.692 0 C-N-CA 123.003 2.469 . . . . 74.45 112.328 -178.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.446 ' HB3' ' CZ ' ' A' ' 88' ' ' PHE . 86.0 t80 -64.8 -31.92 73.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.259 -0.428 . . . . 74.31 110.835 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.415 ' HB3' ' O ' ' A' ' 85' ' ' PHE . 14.4 t70 72.48 132.61 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.554 0 O-C-N 123.861 0.726 . . . . 72.54 111.472 178.512 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 94.92 44.15 3.4 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.743 -0.741 . . . . 73.23 112.019 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.672 ' HE2' ' HB2' ' A' ' 84' ' ' PRO . 73.3 m-85 -92.4 166.28 12.64 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-O 121.281 0.562 . . . . 73.41 111.807 -175.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -94.47 115.82 28.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.256 -0.884 . . . . 63.04 110.059 176.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.6 HD11 ' HB3' ' A' ' 17' ' ' LEU . 92.4 mt -89.53 74.72 7.64 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.506 -0.553 . . . . 72.32 109.506 174.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.663 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 12.2 t-160 -81.66 102.76 10.9 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.116 0.484 . . . . 55.51 110.739 -175.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 66.2 mt -88.09 125.6 41.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.577 -0.738 . . . . 42.31 109.888 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.3 mm -78.28 111.22 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.294 -0.412 . . . . 64.54 110.353 178.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 -84.07 93.17 8.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.95 0.405 . . . . 53.32 109.99 178.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.542 ' H ' HD23 ' A' ' 95' ' ' LEU . 2.6 pt? -123.71 6.05 8.82 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.118 -0.492 . . . . 64.03 110.663 -178.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.437 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 6.9 p-10 -82.48 116.71 65.3 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.393 0.616 . . . . 72.5 110.484 -176.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 57.7 Cg_endo . . . . . 0 C--O 1.251 1.172 0 C-N-CA 123.138 2.559 . . . . 72.55 112.066 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.48 1.05 0 CA-C-O 120.686 0.279 . . . . 74.52 110.331 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.36 73.65 0.02 OUTLIER Glycine 0 N--CA 1.446 -0.634 0 N-CA-C 110.856 -0.898 . . . . 75.21 110.856 -178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.631 ' CE1' ' HB2' ' A' ' 5' ' ' HIS . 57.2 t-80 -112.94 121.67 45.36 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 120.765 0.316 . . . . 74.43 110.204 -177.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -113.21 106.23 14.38 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.422 0.629 . . . . 74.43 109.831 178.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . 0.631 ' HB2' ' CE1' ' A' ' 3' ' ' HIS . 51.3 t-80 -116.1 82.89 1.85 Allowed 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.644 -0.707 . . . . 54.54 109.434 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.4 t60 -136.07 109.83 8.1 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.153 -0.476 . . . . 74.22 110.567 -175.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -127.66 110.22 12.46 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.931 -0.766 . . . . 75.41 108.931 176.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.7 t-80 -68.25 -40.25 81.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.394 -0.366 . . . . 72.24 111.024 -175.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 70.3 m 60.95 -160.98 0.3 Allowed 'General case' 0 C--O 1.235 0.295 0 O-C-N 123.555 0.534 . . . . 71.42 110.768 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 69.8 m80 -134.2 95.67 3.46 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.426 -0.583 . . . . 64.4 109.426 172.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -85.57 71.77 2.84 Favored Glycine 0 N--CA 1.449 -0.441 0 CA-C-N 115.691 -0.686 . . . . 45.01 112.829 -174.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -94.14 -37.1 11.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.086 0.47 . . . . 74.44 110.315 176.513 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -103.79 -40.09 6.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.617 -0.72 . . . . 53.44 110.268 179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.8 p -77.7 106.77 9.73 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 115.826 -0.624 . . . . 73.02 110.047 178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.2 m -75.36 153.67 6.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.014 0.435 . . . . 63.02 110.961 -177.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.492 ' HB2' ' HB2' ' A' ' 86' ' ' ASP . 34.5 m80 -108.53 152.84 24.19 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.301 -0.629 . . . . 72.32 109.301 178.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.582 ' HB2' ' HB2' ' A' ' 30' ' ' ASP . 95.6 mt -116.57 -154.12 0.54 Allowed 'General case' 0 C--N 1.312 -1.031 0 N-CA-C 108.885 -0.783 . . . . 64.34 108.885 177.533 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -176.6 95.88 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.373 -0.603 . . . . 75.44 109.373 171.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 49.1 mt -80.93 133.21 29.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.844 -0.617 . . . . 70.44 109.976 -177.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 21.0 m -143.47 147.42 34.52 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.451 -0.574 . . . . 54.53 109.451 178.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -116.96 177.85 4.56 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.918 0.389 . . . . 60.0 110.84 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -91.95 -32.89 15.09 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.822 -0.807 . . . . 61.45 108.822 171.156 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -66.15 -58.31 5.71 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.867 -1.06 . . . . 73.04 109.634 171.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 27' ' ' PHE . 94.8 mt -86.82 97.13 10.47 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.536 -0.757 . . . . 70.44 110.202 177.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.3 tptt -69.67 -58.67 3.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.86 -0.609 . . . . 72.15 110.222 -179.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.7 m -82.09 85.46 6.76 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.806 -0.634 . . . . 75.14 109.861 175.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.437 ' HB2' ' HB3' ' A' ' 24' ' ' LEU . 26.0 t80 -144.2 106.01 4.31 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.142 -0.481 . . . . 74.22 110.2 -178.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.5 m -127.6 78.38 1.82 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.871 -0.604 . . . . 54.25 110.163 178.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -137.91 147.94 44.84 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.61 -0.723 . . . . 21.42 109.681 179.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.582 ' HB2' ' HB2' ' A' ' 17' ' ' LEU . 4.9 p-10 -166.05 176.55 7.64 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.078 0.466 . . . . 74.31 110.633 179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -126.81 128.21 46.22 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 115.54 -0.754 . . . . 75.45 110.382 -178.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.4 ' H ' ' HG2' ' A' ' 32' ' ' ARG . 10.4 ptt180 -68.65 122.7 19.07 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.776 -0.647 . . . . 55.33 110.78 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 45.7 m-85 -128.29 -173.58 2.99 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.855 -0.611 . . . . 73.21 110.686 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.5 p -90.35 149.36 40.97 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 115.458 -0.792 . . . . 72.42 110.152 178.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.435 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 56.5 Cg_endo -71.59 4.84 2.74 Favored 'Trans proline' 0 C--N 1.344 0.318 0 C-N-CA 122.524 2.149 . . . . 51.42 112.018 179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.581 ' HA ' ' HB3' ' A' ' 78' ' ' PRO . 48.2 mt-30 -101.84 6.62 41.62 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.049 -0.523 . . . . 63.32 110.888 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 57.5 ttp -76.53 107.75 9.03 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.963 -0.562 . . . . 74.13 109.949 176.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.419 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 10.7 p -84.54 143.68 29.17 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.25 -0.432 . . . . 65.35 110.89 -178.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.435 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 42.4 t -62.72 -28.51 45.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.178 0.514 . . . . 64.02 110.897 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -68.0 -40.54 82.99 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.241 -0.436 . . . . 60.42 109.941 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.08 -39.46 72.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 74.42 111.693 -176.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 10.0 p -67.42 -28.62 42.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.679 0.276 . . . . 55.34 111.087 -177.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 98.7 mttt -61.17 -46.0 92.31 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.81 0.338 . . . . 75.14 110.563 177.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -69.16 -30.35 68.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 53.14 110.878 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -72.89 -31.19 64.52 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.861 0.363 . . . . 74.54 110.467 -178.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.6 mt -75.37 -39.85 58.72 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.556 -0.535 . . . . 53.2 109.556 173.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 30.8 t90 -58.96 -36.13 74.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.493 -0.776 . . . . 74.21 110.665 176.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -86.91 12.88 10.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 74.55 111.95 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 ttmp? -129.26 -49.32 1.19 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.937 0.398 . . . . 74.41 110.839 177.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 61.2 m -91.4 -34.01 15.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.112 -0.495 . . . . 71.21 111.053 -177.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.13 4.76 86.71 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.7 -0.762 . . . . 52.24 111.974 -176.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.4 m -96.38 138.36 34.09 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.326 -0.25 . . . . 64.54 110.326 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 50.7 m -69.87 140.63 53.21 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.947 -0.39 . . . . 63.2 109.947 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 27.3 m -75.24 9.97 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 N-CA-C 112.542 0.571 . . . . 73.52 112.542 -172.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -70.1 -30.26 67.42 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.973 0.416 . . . . 75.22 110.587 179.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.1 m -85.94 11.32 11.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.955 -0.566 . . . . 54.44 111.298 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 58.4 ttp -128.19 108.24 10.46 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.821 0.343 . . . . 55.24 110.8 -178.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.559 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -99.19 121.79 41.51 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.163 -0.472 . . . . 64.21 110.299 178.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 81.0 mt -99.51 111.4 23.76 Favored 'General case' 0 CA--C 1.509 -0.619 0 CA-C-O 121.503 0.668 . . . . 74.22 110.597 -179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -104.84 112.52 25.66 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-N 114.913 -1.039 . . . . 74.12 109.397 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 88' ' ' PHE . 48.1 tp -94.08 118.45 31.55 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.394 -0.366 . . . . 52.12 111.136 -174.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' HA ' ' O ' ' A' ' 67' ' ' SER . 24.0 m-85 -97.99 141.67 30.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.799 -0.637 . . . . 72.31 110.86 176.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -105.51 175.5 5.47 Favored 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.385 -0.969 . . . . 75.31 108.385 169.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -97.56 -7.09 32.06 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 112.389 0.515 . . . . 73.43 112.389 -170.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 18.7 p -110.55 -33.03 6.7 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.909 0.385 . . . . 53.42 111.513 -178.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -113.78 -113.17 3.08 Favored Glycine 0 N--CA 1.444 -0.789 0 C-N-CA 120.753 -0.737 . . . . 62.34 111.998 178.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.565 ' O ' ' HA ' ' A' ' 62' ' ' TYR . 50.2 m -152.02 -81.45 0.1 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.767 0.318 . . . . 75.32 110.906 178.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.8 mttm -99.09 122.0 41.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.88 0.371 . . . . 54.44 110.946 -175.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 10.8 m -127.91 41.02 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.15 0.5 . . . . 75.05 110.724 178.343 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.29 111.26 12.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.086 -0.506 . . . . 72.42 111.759 -176.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 42.3 t -94.41 -71.0 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 N-CA-C 109.489 -0.56 . . . . 60.25 109.489 173.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 20.7 tp 66.92 21.83 10.27 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 115.917 -0.583 . . . . 63.1 111.61 169.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 8.6 t -119.18 4.37 11.32 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.602 -0.888 . . . . 73.41 108.602 176.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -101.49 13.99 33.31 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.431 -1.259 . . . . 72.25 110.539 -176.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.419 ' CB ' ' HB ' ' A' ' 39' ' ' VAL . 8.2 p-10 -63.91 -23.95 67.55 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.529 -0.759 . . . . 72.43 112.884 -171.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 34.7 m -94.4 3.2 55.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.926 0.393 . . . . 63.21 111.366 -178.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 15.6 mmm-85 -121.95 160.36 47.49 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.672 -0.492 . . . . 61.24 109.672 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.581 ' HB3' ' HA ' ' A' ' 36' ' ' GLN . 19.8 Cg_exo -67.3 133.17 29.63 Favored 'Trans proline' 0 N--CA 1.461 -0.437 0 C-N-CA 122.086 1.857 . . . . 74.13 110.432 171.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.882 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 35.8 tp -60.53 -29.25 69.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.275 0.559 . . . . 75.53 110.809 -178.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.435 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -67.52 -16.39 67.44 Favored Glycine 0 N--CA 1.449 -0.461 0 CA-C-N 115.912 -0.585 . . . . 73.41 112.708 177.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -69.24 -30.52 68.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.117 0.484 . . . . 73.43 109.916 178.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -86.62 -25.82 24.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.7 -0.682 . . . . 72.15 109.695 175.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.6 m 65.58 83.45 0.19 Allowed Pre-proline 0 CA--C 1.531 0.218 0 CA-C-N 114.949 -1.023 . . . . 53.45 111.182 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.882 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 57.6 Cg_endo -95.09 -164.73 0.1 Allowed 'Trans proline' 0 N--CA 1.454 -0.809 0 C-N-CA 123.105 2.537 . . . . 61.31 112.794 -178.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.543 ' H ' ' HE2' ' A' ' 88' ' ' PHE . 96.8 m-85 -112.96 175.87 5.26 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.809 -0.632 . . . . 72.13 109.743 178.173 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.492 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . 2.2 p-10 -110.51 4.83 20.77 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.208 0.528 . . . . 61.15 110.101 -178.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -104.98 21.4 36.07 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.854 -0.688 . . . . 45.22 112.85 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.543 ' HE2' ' H ' ' A' ' 85' ' ' PHE . 35.5 m-85 -80.64 146.51 31.13 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.823 0.344 . . . . 74.22 110.25 177.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -115.53 116.09 27.58 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.052 0.453 . . . . 74.43 110.372 -178.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.6 mp -87.87 100.56 12.97 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.742 -0.663 . . . . 71.34 110.233 -177.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 -87.23 96.05 10.19 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.181 0.515 . . . . 54.41 109.902 179.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 67.9 mt -76.53 114.12 16.42 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.66 -0.7 . . . . 74.41 109.676 177.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.559 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 45.5 mm -74.22 110.4 8.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.559 0 CA-C-N 115.975 -0.557 . . . . 61.44 109.98 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -67.33 99.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.954 -0.566 . . . . 74.32 110.159 178.084 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 95.8 mt -100.87 -163.69 1.04 Allowed 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.683 -0.689 . . . . 72.0 109.781 178.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -113.98 107.56 52.05 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-O 121.294 0.569 . . . . 72.41 110.801 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo . . . . . 0 C--O 1.249 1.064 0 C-N-CA 122.773 2.315 . . . . 73.52 111.191 175.656 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 109.672 -0.492 . . . . 74.31 109.672 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.04 139.32 15.24 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.998 -0.62 . . . . 50.23 111.848 -178.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 41.0 m80 -82.7 113.63 20.51 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.947 -0.39 . . . . 74.41 109.947 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -85.17 57.98 4.76 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.166 0.508 . . . . 62.23 109.795 177.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -79.78 72.13 6.48 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.485 -0.78 . . . . 74.3 109.877 -179.528 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -173.87 108.89 0.15 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.097 -0.956 . . . . 71.34 108.979 179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -76.9 156.31 32.19 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.27 -0.423 . . . . 74.25 110.298 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -68.94 110.94 4.66 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.993 -0.743 . . . . 73.3 108.993 178.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 p -63.93 92.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.457 0.646 . . . . 72.21 112.335 -173.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 31.9 t60 -153.84 27.14 0.49 Allowed 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 108.848 -0.797 . . . . 73.15 108.848 173.317 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -89.03 41.32 3.04 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.654 -0.703 . . . . 73.15 111.467 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -75.65 -41.05 55.11 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.696 0.284 . . . . 60.12 110.529 -178.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -98.68 133.27 43.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.155 0.502 . . . . 72.13 110.133 178.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 60.0 m -152.53 153.53 33.63 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.605 -0.725 . . . . 45.21 110.137 -178.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.45 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 35.1 m -86.42 153.76 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.271 -0.64 . . . . 71.31 109.271 176.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.455 ' O ' ' HA3' ' A' ' 87' ' ' GLY . 48.0 m80 -98.5 91.1 5.01 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.27 0.557 . . . . 72.31 110.922 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.5 mt -77.92 113.64 16.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.601 -0.727 . . . . 72.4 109.644 178.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -93.18 94.32 8.75 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.03 0.443 . . . . 64.14 110.456 -177.113 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.535 ' O ' ' HA ' ' A' ' 28' ' ' SER . 58.6 mt -69.63 117.91 13.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.865 -0.607 . . . . 71.11 110.312 -178.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.539 ' O ' ' HA ' ' A' ' 91' ' ' HIS . 10.6 m -122.33 125.74 46.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.231 -0.441 . . . . 74.01 110.051 -178.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.576 ' HD2' ' HB ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -84.61 165.01 18.33 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.643 0.259 . . . . 71.41 110.872 -178.282 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.471 ' HB3' ' H ' ' A' ' 94' ' ' ASP . . . -99.0 -38.66 8.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.38 -0.373 . . . . 64.42 110.364 178.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -75.29 -63.97 1.16 Allowed 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.312 -0.625 . . . . 72.05 109.312 176.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 90.3 mt -87.78 92.64 9.19 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.946 -0.57 . . . . 65.1 109.782 175.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' HE2' ' HB3' ' A' ' 25' ' ' LYS . 34.9 ttpt -67.85 -27.96 67.14 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.071 0.462 . . . . 55.15 110.411 -176.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 15.1 m -69.52 -16.17 63.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.941 -0.572 . . . . 75.02 111.099 178.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.531 ' HB3' ' HB2' ' A' ' 21' ' ' HIS . 92.8 t80 -75.53 106.28 7.0 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 121.269 0.557 . . . . 75.4 109.907 179.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.535 ' HA ' ' O ' ' A' ' 19' ' ' ILE . 41.2 m -137.99 114.57 10.46 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.421 -0.809 . . . . 72.1 109.44 178.3 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.493 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -113.8 116.04 28.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.183 -0.462 . . . . 72.05 111.295 -177.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -81.3 102.85 10.67 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.294 -0.632 . . . . 72.23 109.294 174.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -112.93 118.77 35.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.27 -0.423 . . . . 51.55 111.374 -175.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 10.0 ptm180 -89.56 115.39 26.93 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.078 -0.51 . . . . 44.05 111.038 178.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -133.88 141.41 47.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.889 -0.596 . . . . 65.13 109.886 175.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 66.8 m -63.67 143.91 97.92 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 116.554 -0.294 . . . . 71.54 110.683 178.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.578 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 36.2 Cg_endo -64.46 -5.76 10.6 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 123.079 2.519 . . . . 74.31 113.074 -176.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -77.52 -13.43 59.92 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.186 0.517 . . . . 72.25 110.419 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.5 ttt -88.02 146.32 25.55 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.846 -0.616 . . . . 72.11 109.78 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 35.1 p -102.06 163.04 12.46 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.282 -0.417 . . . . 52.14 110.81 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 41.4 t -65.81 -34.4 70.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.211 0.529 . . . . 61.33 109.611 176.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -51.78 -44.86 63.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.025 -0.988 . . . . 74.0 111.176 176.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.47 -33.14 75.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 64.13 111.336 -178.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 47.7 t -74.02 -40.95 52.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 121.182 0.515 . . . . 72.13 110.021 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -61.17 -30.75 70.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.452 -0.794 . . . . 55.41 111.552 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.576 ' O ' ' HG2' ' A' ' 48' ' ' LYS . 17.5 tt0 -52.77 -49.59 65.25 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.012 0.434 . . . . 54.13 110.803 176.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -68.28 -35.05 77.28 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.594 -0.73 . . . . 64.04 111.44 -172.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.2 mt -75.99 -36.74 59.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.008 0.432 . . . . 75.01 110.474 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 31.3 t90 -64.12 -58.13 7.53 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.733 -0.667 . . . . 75.31 111.411 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.576 ' HG2' ' O ' ' A' ' 44' ' ' GLU . 61.3 pttt -72.9 -6.08 42.71 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.856 0.36 . . . . 55.23 111.716 -174.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.9 tttt -77.15 -34.6 56.48 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.364 0.602 . . . . 63.42 109.822 172.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 22.7 m -103.46 -49.38 3.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.502 -0.772 . . . . 54.21 111.829 -171.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 82.88 29.1 35.75 Favored Glycine 0 N--CA 1.453 -0.197 0 N-CA-C 110.858 -0.897 . . . . 74.02 110.858 -172.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 61.8 m -100.54 157.95 16.28 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.268 -0.466 . . . . 63.34 110.012 -178.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.8 m -55.07 137.0 47.51 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 110.168 -0.308 . . . . 72.13 110.168 176.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 12.1 p -67.29 -23.29 30.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.87 0.367 . . . . 73.02 111.167 -176.29 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.0 t30 -77.02 -25.85 53.05 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.007 0.432 . . . . 43.22 110.661 178.015 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.467 ' HB3' ' HB2' ' A' ' 96' ' ' ASP . 17.0 m -73.72 -24.76 59.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.063 0.458 . . . . 64.24 110.379 177.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 48.8 ttp -92.18 83.53 5.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.757 -0.656 . . . . 62.41 109.892 178.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -89.05 138.56 31.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.823 -0.626 . . . . 64.31 110.215 -179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.532 ' HG ' HD13 ' A' ' 92' ' ' ILE . 5.9 tt -123.29 120.2 32.38 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.99 -0.744 . . . . 72.04 108.99 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.666 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 38.5 mm-40 -96.14 107.83 20.2 Favored 'General case' 0 C--N 1.318 -0.8 0 N-CA-C 109.795 -0.446 . . . . 74.12 109.795 177.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 34.1 tp -73.5 87.73 1.61 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.283 0.563 . . . . 72.14 109.796 177.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -95.9 119.76 34.98 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 113.148 0.795 . . . . 65.43 113.148 -171.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -76.8 145.38 38.52 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 106.11 -1.811 . . . . 74.41 106.11 157.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -79.75 62.97 4.17 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.832 0.825 . . . . 73.44 110.81 -171.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.7 m -123.66 -37.1 2.67 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 114.476 -1.238 . . . . 62.11 109.606 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 153.54 -54.06 0.45 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.775 -0.726 . . . . 55.11 112.508 177.505 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.5 t -96.74 165.19 12.24 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.04 0.448 . . . . 63.0 110.528 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.0 pttt -80.26 139.49 36.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.82 -0.627 . . . . 74.5 109.833 176.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 20.1 m -87.86 -1.5 8.27 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.821 0.343 . . . . 45.01 111.645 -176.543 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -147.32 150.46 34.79 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.702 0.287 . . . . 72.21 111.053 -178.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.472 HG13 ' H ' ' A' ' 73' ' ' SER . 7.4 p -70.94 -17.92 20.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.437 0.637 . . . . 72.43 109.91 174.558 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 72' ' ' LEU . 21.5 tp 64.18 20.17 12.07 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.128 -0.942 . . . . 65.41 111.706 175.014 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.472 ' H ' HG13 ' A' ' 71' ' ' VAL . 44.9 m -82.98 2.02 36.89 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.336 -0.987 . . . . 52.12 108.336 169.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -100.91 24.42 9.28 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 113.973 -1.467 . . . . 72.33 108.982 176.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.524 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 11.6 p-10 -71.23 -15.74 62.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.079 -0.51 . . . . 73.21 111.51 -173.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.8 t -87.78 -3.13 58.97 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.271 0.558 . . . . 51.33 109.681 177.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 77' ' ' ARG . 4.3 mmp_? -89.67 145.69 34.06 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 115.932 -0.576 . . . . 73.5 110.235 178.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_exo -67.37 135.87 38.11 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.541 2.161 . . . . 73.15 111.207 173.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 92.3 mt -56.65 -36.15 69.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.228 -0.442 . . . . 61.34 112.184 -175.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.578 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -76.55 -10.97 85.58 Favored Glycine 0 C--O 1.227 -0.292 0 C-N-CA 121.234 -0.508 . . . . 72.31 112.72 -177.499 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 24.2 t80 -103.25 -0.61 30.1 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.681 0.753 . . . . 74.33 109.086 177.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 59.3 t80 -104.25 -63.87 1.16 Allowed 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.315 -0.857 . . . . 61.51 109.858 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.406 ' HA ' ' HD3' ' A' ' 84' ' ' PRO . 16.3 p -175.26 105.11 0.26 Allowed Pre-proline 0 C--O 1.235 0.309 0 CA-C-N 116.138 -0.483 . . . . 74.11 110.506 177.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 83' ' ' SER . 4.1 Cg_exo -80.08 71.28 7.13 Favored 'Trans proline' 0 N--CA 1.46 -0.478 0 C-N-CA 123.318 2.679 . . . . 72.42 112.15 179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 70.4 t80 -66.07 -62.12 1.66 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.775 -0.648 . . . . 64.45 111.176 179.204 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 14.9 t70 178.46 -56.88 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-O 121.373 0.606 . . . . 75.11 109.756 -176.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.455 ' HA3' ' O ' ' A' ' 16' ' ' HIS . . . 167.22 98.37 0.12 Allowed Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.206 -0.906 . . . . 54.21 111.206 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -71.39 161.06 31.67 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.951 0.405 . . . . 71.11 110.511 -177.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . . . . . . . . . 80.9 mtp180 -86.04 107.53 17.84 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.263 -0.643 . . . . 72.54 109.263 177.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.456 ' HB2' ' HA ' ' A' ' 19' ' ' ILE . 81.6 mt -74.44 88.56 2.1 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.899 -0.591 . . . . 75.53 109.591 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.666 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 12.1 t-80 -82.44 94.79 7.5 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.105 0.479 . . . . 71.41 110.215 -177.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.576 ' HB ' ' HD2' ' A' ' 21' ' ' HIS . 47.1 mm -74.31 117.04 17.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.479 -0.782 . . . . 75.15 109.707 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.551 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 47.2 mm -81.22 107.0 13.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.128 -0.487 . . . . 72.21 110.187 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.471 ' H ' ' HB3' ' A' ' 22' ' ' ALA . 9.4 m-20 -72.61 67.68 0.78 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.159 -0.682 . . . . 62.51 109.159 173.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 55.1 tp -75.95 -43.31 45.41 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.649 -0.705 . . . . 75.14 110.685 -175.54 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.497 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 15.0 t70 -83.07 115.05 56.83 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.072 -0.513 . . . . 71.31 109.663 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.497 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 5.9 Cg_exo . . . . . 0 C--O 1.25 1.119 0 C-N-CA 123.236 2.624 . . . . 72.15 112.475 -175.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 121.008 0.432 . . . . 74.52 110.698 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -109.76 65.15 0.25 Allowed Glycine 0 N--CA 1.448 -0.566 0 N-CA-C 111.389 -0.684 . . . . 75.21 111.389 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -74.95 105.5 6.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.66 0.267 . . . . 74.43 110.523 -176.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.3 p80 -123.49 102.51 7.92 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.654 0.74 . . . . 74.43 109.412 174.116 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 56.5 t-80 -154.81 70.62 0.78 Allowed 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.346 -0.843 . . . . 54.54 108.998 -176.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -143.41 133.78 24.69 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.603 -0.726 . . . . 74.22 109.941 -175.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -132.34 162.27 31.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.019 -0.734 . . . . 75.41 109.019 175.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -93.77 -51.26 4.98 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.137 -0.69 . . . . 72.24 109.137 172.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.9 m 63.95 115.83 0.02 OUTLIER 'General case' 0 C--O 1.233 0.196 0 O-C-N 124.186 0.929 . . . . 71.42 111.58 178.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -72.71 93.44 1.65 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.113 -0.494 . . . . 64.4 109.691 178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.22 105.1 1.25 Allowed Glycine 0 N--CA 1.448 -0.509 0 CA-C-N 115.489 -0.778 . . . . 45.01 112.926 -175.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -102.0 -35.22 9.04 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 121.394 0.616 . . . . 74.44 109.458 176.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -148.39 87.85 1.61 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.242 -0.89 . . . . 53.44 110.246 177.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.505 ' HB2' ' HB2' ' A' ' 32' ' ' ARG . 56.4 p -169.73 133.07 1.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.935 -0.575 . . . . 73.02 110.64 -177.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.675 HG11 ' HG2' ' A' ' 84' ' ' PRO . 18.6 m -121.35 134.33 65.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.996 0.427 . . . . 63.02 111.063 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -85.64 107.08 17.37 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.231 -0.441 . . . . 72.32 111.313 179.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 79.2 mt -87.21 100.04 12.39 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.575 -0.898 . . . . 64.34 108.575 171.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.604 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 71.0 m-70 -76.6 101.1 5.57 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.778 -0.646 . . . . 75.44 110.332 -172.625 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 54.2 mt -86.98 136.18 23.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 116.02 -0.537 . . . . 70.44 110.623 -176.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 15.2 m -140.51 142.37 35.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.299 -0.41 . . . . 54.53 110.007 176.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.516 ' HB3' ' HB3' ' A' ' 24' ' ' LEU . 1.9 t-160 -93.02 151.79 19.68 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.59 -0.522 . . . . 60.0 109.59 -178.299 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.493 ' HB2' ' HA ' ' A' ' 93' ' ' ILE . . . -72.19 -53.99 11.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.86 0.362 . . . . 61.45 111.263 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -75.33 -14.9 60.52 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.236 -0.438 . . . . 73.04 111.277 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.516 ' HB3' ' HB3' ' A' ' 21' ' ' HIS . 44.6 tp -120.58 100.47 7.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.851 0.358 . . . . 70.44 110.464 178.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 tptt -67.6 -44.8 77.21 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.724 -0.671 . . . . 72.15 110.978 -178.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 47.7 t -86.63 90.72 8.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.017 0.437 . . . . 75.14 109.836 178.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 74.5 t80 -133.54 95.37 3.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.824 -0.626 . . . . 74.22 110.182 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.8 m -103.4 86.9 2.74 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.099 0.476 . . . . 54.25 110.42 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -149.92 32.2 0.69 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.926 -0.579 . . . . 21.42 111.134 -178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.515 ' CB ' ' HA ' ' A' ' 18' ' ' HIS . 4.3 p-10 -77.86 155.79 30.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.999 0.428 . . . . 74.31 109.927 179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -137.61 158.84 43.53 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.143 -0.481 . . . . 75.45 111.126 -176.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.505 ' HB2' ' HB2' ' A' ' 14' ' ' SER . 11.8 ptt180 -89.75 108.62 19.8 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.781 -0.645 . . . . 55.33 109.508 173.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -98.17 160.41 14.31 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.135 -0.484 . . . . 73.21 111.254 -174.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 17.3 m -81.16 118.54 72.78 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.478 -0.783 . . . . 72.42 109.61 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.467 ' HB2' ' CA ' ' A' ' 80' ' ' GLY . 20.7 Cg_endo -61.22 -19.98 66.03 Favored 'Trans proline' 0 CA--C 1.533 0.442 0 C-N-CA 123.053 2.502 . . . . 51.42 114.018 -174.039 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -71.34 1.9 5.57 Favored 'General case' 0 N--CA 1.466 0.35 0 O-C-N 121.839 -0.538 . . . . 63.32 112.032 -177.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 57.4 ttp -97.99 134.95 40.4 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.678 -0.49 . . . . 74.13 109.678 173.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 59.0 p -83.2 151.6 25.6 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.9 0.381 . . . . 65.35 110.83 179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.506 ' O ' HG12 ' A' ' 42' ' ' VAL . 43.4 t -68.84 -29.07 42.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 121.283 0.563 . . . . 64.02 109.891 177.597 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.526 ' HB2' ' HA ' ' A' ' 76' ' ' SER . 45.5 tt0 -62.5 -40.44 96.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.864 -0.607 . . . . 60.42 110.418 175.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.35 -37.3 87.02 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.104 -0.498 . . . . 74.42 111.454 -178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.7 p -75.11 -30.65 23.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 C-N-CA 120.617 -0.433 . . . . 55.34 110.826 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 93.8 mttt -61.24 -51.34 69.37 Favored 'General case' 0 CA--C 1.518 -0.264 0 N-CA-C 109.12 -0.696 . . . . 75.14 109.12 173.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.43 ' O ' ' HG3' ' A' ' 48' ' ' LYS . 30.0 tt0 -57.16 -45.86 83.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 114.861 -1.063 . . . . 53.14 110.801 178.372 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -63.12 -37.55 87.66 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.851 -0.613 . . . . 74.54 111.434 -176.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.6 mt -75.67 -37.39 59.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.1 0.476 . . . . 53.2 110.415 177.23 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 77.4 t90 -60.47 -43.35 97.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.889 -0.596 . . . . 74.21 110.559 177.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.43 ' HG3' ' O ' ' A' ' 44' ' ' GLU . 9.5 mtpm? -62.08 -19.96 63.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.013 -0.54 . . . . 74.55 111.419 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.6 tttp -86.88 -52.0 5.73 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.449 -0.341 . . . . 74.41 111.256 -178.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 63.4 m -99.64 -39.31 8.34 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.528 0.566 . . . . 71.21 112.528 -173.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 88.91 22.24 39.63 Favored Glycine 0 N--CA 1.454 -0.127 0 C-N-CA 120.539 -0.838 . . . . 52.24 112.113 -174.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 31.9 m -90.21 134.58 34.2 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 110.202 -0.295 . . . . 64.54 110.202 179.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 m -53.48 133.65 40.78 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.39 -0.368 . . . . 63.2 111.067 -178.645 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 26.9 m -69.26 -16.07 20.3 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 112.15 0.426 . . . . 73.52 112.15 -173.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -81.51 -28.29 34.07 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.851 0.358 . . . . 75.22 110.279 175.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.7 m -75.46 -25.79 57.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.409 0.624 . . . . 54.44 109.86 176.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.4 ttp -89.64 71.43 7.82 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.627 -0.715 . . . . 55.24 109.188 174.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.453 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -82.96 125.09 31.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.39 -0.823 . . . . 64.21 111.226 -176.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.5 mt -110.57 97.4 6.84 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.176 -0.466 . . . . 74.22 110.281 179.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -77.65 111.95 13.95 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.941 0.401 . . . . 74.12 110.237 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.561 HD11 ' HB3' ' A' ' 88' ' ' PHE . 34.0 tp -78.52 101.43 7.36 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.794 -0.639 . . . . 52.12 110.035 178.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 21.7 m-30 -90.01 118.7 29.76 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.979 -0.555 . . . . 72.31 110.03 177.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -81.44 153.92 26.65 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 108.994 -0.743 . . . . 75.31 108.994 176.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -94.11 55.14 2.01 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 121.354 0.597 . . . . 73.43 110.382 -176.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.8 t -161.25 -54.9 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.779 -0.646 . . . . 53.42 110.044 177.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.43 -92.18 1.74 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 121.204 -0.522 . . . . 62.34 112.376 179.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -164.28 -75.25 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.739 0.305 . . . . 75.32 111.065 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -124.0 126.33 46.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.424 -0.353 . . . . 54.44 110.765 -176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.9 m -122.64 74.1 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 121.552 0.692 . . . . 75.05 110.835 175.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -109.61 94.7 5.17 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.756 -0.656 . . . . 72.42 111.383 -178.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 53.1 t -93.11 -41.44 12.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 109.092 -0.707 . . . . 60.25 109.092 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 12.9 tp 61.61 37.98 15.75 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-N 114.842 -1.072 . . . . 63.1 111.427 174.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 19.8 t -127.26 4.36 6.35 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 122.104 0.954 . . . . 73.41 108.562 174.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -118.59 -9.61 10.22 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 114.592 -1.186 . . . . 72.25 110.333 -178.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.476 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 9.5 p-10 -76.97 -28.18 55.05 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.473 -0.785 . . . . 72.43 110.6 -175.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.526 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 9.7 m -89.56 14.41 11.6 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.828 -0.624 . . . . 63.21 110.287 -178.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 24.4 mmm-85 -121.27 157.47 55.73 Favored Pre-proline 0 C--N 1.324 -0.538 0 N-CA-C 109.032 -0.729 . . . . 61.24 109.032 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.4 Cg_endo -59.2 117.77 4.56 Favored 'Trans proline' 0 N--CA 1.46 -0.493 0 C-N-CA 121.838 1.692 . . . . 74.13 110.368 172.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.549 ' O ' ' HD3' ' A' ' 84' ' ' PRO . 14.8 tp -62.36 -24.67 67.49 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.42 -0.354 . . . . 75.53 110.704 -172.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.467 ' CA ' ' HB2' ' A' ' 35' ' ' PRO . . . -66.64 -36.84 91.92 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 121.424 -0.417 . . . . 73.41 112.102 176.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 85.7 t80 -68.09 -36.99 80.69 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.569 -0.53 . . . . 73.43 109.569 177.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -69.06 -30.84 69.26 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.41 -0.813 . . . . 72.15 110.334 174.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.6 t 66.13 91.17 0.08 OUTLIER Pre-proline 0 C--N 1.333 -0.112 0 CA-C-N 115.559 -0.746 . . . . 53.45 110.029 -176.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.675 ' HG2' HG11 ' A' ' 15' ' ' VAL . 83.7 Cg_endo -83.49 154.81 13.98 Favored 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 122.465 2.11 . . . . 61.31 112.227 -175.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -117.8 142.45 47.27 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.099 -0.5 . . . . 72.13 109.803 177.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 35.7 t0 -75.84 89.99 2.91 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.231 0.539 . . . . 61.15 110.638 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -176.52 30.09 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.88 -0.676 . . . . 45.22 111.926 177.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.561 ' HB3' HD11 ' A' ' 61' ' ' LEU . 93.3 m-85 -131.03 151.18 51.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.668 0.27 . . . . 74.22 110.418 -178.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.604 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 79.1 mtt85 -124.16 134.36 53.34 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.323 -0.398 . . . . 74.43 110.878 179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 94.3 mt -95.09 101.39 13.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.745 -0.661 . . . . 71.34 109.768 178.007 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.3 t-80 -89.97 101.06 13.76 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.081 -0.34 . . . . 54.41 110.081 -178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 45.0 mt -69.57 106.61 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.839 -0.619 . . . . 74.41 109.938 179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.493 ' HA ' ' HB2' ' A' ' 22' ' ' ALA . 47.1 mm -79.71 121.5 33.11 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.352 -0.386 . . . . 61.44 110.476 -178.176 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.64 96.95 5.65 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.087 -0.506 . . . . 74.32 110.325 177.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 98.4 mt -103.51 -168.07 1.46 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.324 -0.398 . . . . 72.0 110.029 178.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.507 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 8.1 p-10 -92.78 141.39 24.32 Favored Pre-proline 0 C--N 1.318 -0.781 0 CA-C-N 115.829 -0.623 . . . . 72.41 110.911 -178.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.507 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 9.8 Cg_endo . . . . . 0 C--O 1.249 1.047 0 C-N-CA 123.533 2.822 . . . . 73.52 112.582 -177.263 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 121.132 0.491 . . . . 63.13 110.068 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -104.14 36.41 4.39 Favored Glycine 0 N--CA 1.445 -0.72 0 C-N-CA 120.874 -0.679 . . . . 53.45 112.689 -176.32 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -98.01 104.43 16.46 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.905 -0.776 . . . . 64.15 108.905 177.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 15.7 p80 -123.58 149.8 44.86 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.026 -0.534 . . . . 63.02 111.277 -174.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.1 p-80 -148.73 149.2 31.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 72.1 110.344 -179.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.2 m170 -124.85 158.46 33.39 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.545 -0.539 . . . . 75.03 109.545 175.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -85.04 63.59 8.2 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.095 0.474 . . . . 64.01 110.855 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 27.2 t-80 -82.75 120.68 25.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.764 -0.653 . . . . 75.4 109.539 176.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.4 m -77.63 111.5 13.45 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.004 -0.543 . . . . 74.31 111.372 -178.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -94.33 153.8 17.81 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.097 -0.705 . . . . 62.43 109.097 173.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -75.66 -121.4 0.13 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.567 -0.825 . . . . 60.54 112.611 -179.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -142.47 76.39 1.53 Allowed 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.974 -0.38 . . . . 72.42 109.974 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -177.65 130.29 0.15 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.509 -0.769 . . . . 71.53 109.035 179.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.537 ' HB3' ' HB2' ' A' ' 32' ' ' ARG . 62.0 m -155.41 121.46 5.13 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.716 0.293 . . . . 52.35 110.884 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.702 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 29.8 m -77.12 132.8 32.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.326 -0.397 . . . . 72.33 110.483 178.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.46 ' HB2' ' HA3' ' A' ' 87' ' ' GLY . 34.3 m80 -89.22 88.25 7.45 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.347 -0.388 . . . . 63.32 111.738 -172.563 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.477 HD12 ' HD2' ' A' ' 33' ' ' PHE . 88.6 mt -84.78 100.53 11.59 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.538 -0.542 . . . . 64.25 109.538 175.588 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.537 ' HB2' ' HD3' ' A' ' 89' ' ' ARG . 38.3 m-70 -80.54 111.0 16.54 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.95 -0.568 . . . . 74.43 110.01 -176.212 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 48.4 mm -83.49 108.11 15.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.959 0.409 . . . . 52.03 110.577 -178.113 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 9.2 m -118.28 145.67 44.88 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.05 -0.523 . . . . 52.13 110.057 -179.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.449 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 20.8 m-70 -120.07 177.14 5.11 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.052 0.453 . . . . 73.13 111.304 -178.547 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.446 ' HB3' ' H ' ' A' ' 94' ' ' ASP . . . -108.99 -32.96 7.05 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.378 -0.828 . . . . 44.21 108.915 171.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -69.31 -34.44 74.69 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.424 -0.807 . . . . 72.41 109.203 175.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.8 mp -115.09 101.94 9.46 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.051 -0.977 . . . . 72.41 108.575 173.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -55.73 -31.89 62.9 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.7 -0.682 . . . . 72.15 112.137 -174.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.9 t -139.73 99.9 3.82 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.223 -0.658 . . . . 75.4 109.223 174.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 24.1 t80 -99.31 122.91 43.11 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.905 -0.589 . . . . 74.2 110.148 -177.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 p -80.61 91.84 5.88 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.994 -0.548 . . . . 63.51 110.891 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -164.17 109.6 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.132 -0.486 . . . . 73.23 110.996 178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -109.86 102.06 10.86 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.454 -0.573 . . . . 71.44 109.454 173.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -88.05 91.14 8.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.254 -0.43 . . . . 71.1 110.619 -176.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.702 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 11.0 ptt180 -93.44 108.92 20.52 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.442 0.639 . . . . 71.11 110.233 179.228 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.477 ' HD2' HD12 ' A' ' 17' ' ' LEU . 74.0 m-85 -104.31 178.15 4.64 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.657 -0.701 . . . . 75.41 111.477 -175.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.425 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 22.0 p -82.83 145.79 51.0 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 115.301 -0.863 . . . . 61.02 110.862 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 48.6 Cg_exo -57.7 150.29 62.78 Favored 'Trans proline' 0 CA--C 1.531 0.337 0 C-N-CA 123.224 2.616 . . . . 34.33 113.135 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.638 ' HA ' ' H ' ' A' ' 80' ' ' GLY . 37.2 mt-30 65.17 21.68 12.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.217 -0.901 . . . . 74.25 113.244 177.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.8 ttt -68.78 142.44 54.92 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.611 -0.515 . . . . 70.55 109.611 172.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 24.7 t -77.02 123.2 26.01 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.805 -0.443 . . . . 73.31 109.805 179.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.559 HG12 ' HE3' ' A' ' 43' ' ' LYS . 7.8 t -71.0 -28.77 34.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.217 -0.447 . . . . 72.34 110.328 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 44.5 tt0 -62.52 -35.19 78.61 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.195 -0.457 . . . . 71.33 110.161 177.497 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.44 -38.18 89.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.973 -0.558 . . . . 53.43 111.59 -178.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.407 ' O ' ' HG ' ' A' ' 46' ' ' LEU . 11.1 p -79.25 -30.55 14.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 C-N-CA 120.663 -0.415 . . . . 73.04 110.364 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.559 ' HE3' HG12 ' A' ' 39' ' ' VAL . 98.4 mttt -66.32 -37.13 84.67 Favored 'General case' 0 CA--C 1.522 -0.129 0 CA-C-O 120.775 0.321 . . . . 74.32 110.174 175.595 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.428 ' HG2' ' HE2' ' A' ' 48' ' ' LYS . 28.8 tt0 -61.03 -37.41 82.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.101 -0.5 . . . . 73.2 110.111 175.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.441 ' HA ' ' HE3' ' A' ' 48' ' ' LYS . 60.8 tttt -71.03 -35.34 71.95 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.906 -0.588 . . . . 75.33 109.937 -178.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 42' ' ' VAL . 96.0 mt -65.51 -39.35 91.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.087 0.47 . . . . 72.13 110.136 174.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 65.5 t90 -62.22 -36.06 80.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.729 -0.669 . . . . 73.43 110.4 175.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' HE3' ' HA ' ' A' ' 45' ' ' LYS . 54.5 mtmt -80.14 12.03 3.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.96 -0.563 . . . . 74.34 111.759 -179.181 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.0 tptt -64.02 -45.31 89.5 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.594 -0.521 . . . . 70.43 109.594 171.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 6.3 p -139.19 -0.42 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.707 -0.679 . . . . 72.54 111.121 178.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.23 38.76 53.73 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.837 -0.697 . . . . 44.14 111.756 -177.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 38.5 m -135.92 144.84 45.71 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 110.103 -0.332 . . . . 62.25 110.103 -176.278 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 16.2 m -58.21 148.48 26.93 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 120.901 0.381 . . . . 72.1 111.031 -178.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 21.5 t -80.47 81.29 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.284 0.564 . . . . 72.33 109.805 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 9.2 t30 -114.5 -37.96 4.17 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.683 -0.689 . . . . 54.14 110.623 -177.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.8 p -86.99 6.29 33.04 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.988 -0.551 . . . . 64.13 111.281 -179.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 50.9 ttm -134.55 131.55 38.07 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.187 -0.46 . . . . 64.54 110.236 -178.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.431 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -114.9 130.75 56.96 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.36 -0.382 . . . . 73.3 110.539 178.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.1 mt -101.0 100.89 11.56 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.002 0.43 . . . . 74.14 110.647 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.411 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 17.5 mm-40 -87.54 111.87 21.66 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.02 -0.536 . . . . 65.41 111.059 179.517 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 62.3 tp -86.51 113.7 22.65 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.035 -0.529 . . . . 74.2 110.216 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.525 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 27.0 m-85 -114.49 135.91 53.6 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.262 0.553 . . . . 74.11 112.086 -179.383 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.672 ' HB3' ' HB2' ' A' ' 67' ' ' SER . 20.7 t70 -82.5 124.33 30.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.051 -0.977 . . . . 74.35 109.38 173.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 26.7 t70 72.01 -64.35 0.39 Allowed 'General case' 0 C--N 1.331 -0.229 0 O-C-N 123.977 0.798 . . . . 62.11 111.002 -178.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . 0.531 ' HA ' ' HG3' ' A' ' 89' ' ' ARG . 73.4 m -161.76 -51.67 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.393 -0.367 . . . . 71.1 111.881 -177.474 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.56 -25.78 3.89 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 119.787 -1.196 . . . . 55.5 114.161 -172.208 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.672 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 20.0 m -60.76 116.19 4.23 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.005 0.402 . . . . 75.13 111.316 -174.709 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.0 ttmm -76.64 106.07 8.08 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.082 -0.508 . . . . 61.01 110.218 -178.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.7 m -124.38 34.83 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.059 0.456 . . . . 75.32 110.979 -178.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -66.64 108.61 2.52 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.932 -0.576 . . . . 62.24 110.85 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 10.9 p -129.19 145.05 36.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.691 -0.686 . . . . 73.14 109.663 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.9 tp -117.51 102.22 9.02 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.266 0.555 . . . . 74.31 110.652 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.4 t -164.88 22.28 0.06 Allowed 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.315 -0.994 . . . . 73.54 108.315 179.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.489 ' HB2' HG21 ' A' ' 39' ' ' VAL . 5.0 p-10 -114.11 -11.35 12.7 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.423 -1.262 . . . . 55.55 112.02 -167.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 40' ' ' GLU . 31.0 m-20 -64.75 -42.81 94.87 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.271 0.558 . . . . 54.51 110.494 -178.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.2 m -99.91 9.85 42.28 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.832 -0.622 . . . . 64.44 111.227 -175.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.403 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 14.3 mmt180 -133.24 138.43 31.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 120.916 0.388 . . . . 73.3 111.583 -173.721 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 77' ' ' ARG . 23.6 Cg_exo -65.02 125.09 14.05 Favored 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 122.563 2.176 . . . . 71.22 110.968 173.702 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 36.7 tp -56.89 -31.52 64.96 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 120.907 0.384 . . . . 74.33 111.706 -174.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.638 ' H ' ' HA ' ' A' ' 36' ' ' GLN . . . -75.11 -20.25 79.35 Favored Glycine 0 CA--C 1.518 0.274 0 C-N-CA 120.878 -0.677 . . . . 73.11 112.947 -177.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -68.07 -30.13 69.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.958 0.408 . . . . 74.12 110.105 -177.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -74.66 -18.17 60.58 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.709 -0.678 . . . . 71.45 110.294 178.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t 66.9 95.37 0.05 OUTLIER Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 115.448 -0.796 . . . . 74.22 110.625 -177.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.493 ' HG2' HG11 ' A' ' 15' ' ' VAL . 7.8 Cg_exo -73.17 151.62 49.51 Favored 'Trans proline' 0 N--CA 1.462 -0.366 0 C-N-CA 123.08 2.52 . . . . 73.33 112.589 -179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -63.89 -60.76 2.87 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.859 -0.609 . . . . 72.21 110.345 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -166.31 -56.77 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.509 -0.769 . . . . 72.14 109.114 178.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.46 ' HA3' ' HB2' ' A' ' 16' ' ' HIS . . . -160.7 156.61 27.97 Favored Glycine 0 N--CA 1.436 -1.314 0 CA-C-N 114.953 -1.021 . . . . 65.22 111.546 178.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 94.9 m-85 -128.46 164.15 23.37 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 120.957 0.408 . . . . 74.04 110.503 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.537 ' HD3' ' HB2' ' A' ' 18' ' ' HIS . 16.6 mmt180 -96.11 111.16 23.28 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.89 -0.596 . . . . 74.1 110.38 177.297 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 98.5 mt -90.5 92.15 8.74 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.041 -0.726 . . . . 72.31 109.041 174.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.411 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 10.7 t-160 -88.54 98.13 11.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.832 -0.622 . . . . 72.51 110.197 -175.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.9 mt -76.75 112.38 14.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.487 -0.778 . . . . 75.03 110.5 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.431 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 45.0 mm -76.31 100.46 2.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 N-CA-C 109.433 -0.58 . . . . 72.21 109.433 176.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.449 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 23.0 m-20 -83.07 92.71 7.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.931 -0.577 . . . . 74.4 110.867 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -79.84 71.99 6.55 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 107.649 -1.241 . . . . 73.43 107.649 172.19 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -110.9 119.75 45.23 Favored Pre-proline 0 C--N 1.324 -0.538 0 CA-C-N 115.013 -0.994 . . . . 70.22 110.497 -172.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 C--O 1.248 1.008 0 C-N-CA 122.646 2.23 . . . . 70.44 112.001 178.429 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.477 0.876 0 N-CA-C 109.582 -0.525 . . . . 74.52 109.582 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 139.94 144.33 4.5 Favored Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.849 -0.691 . . . . 75.21 111.97 -178.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 48.8 m80 -119.39 131.66 55.71 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 109.933 -0.395 . . . . 74.43 109.933 178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -108.38 95.18 5.49 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.771 0.796 . . . . 74.43 110.418 -178.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.9 t-80 -124.07 5.76 8.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 114.769 -1.105 . . . . 54.54 109.362 -179.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 46.2 t60 -77.52 76.48 4.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.317 -0.856 . . . . 74.22 110.901 -174.314 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -98.17 163.27 12.81 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.728 -0.669 . . . . 75.41 109.525 177.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -111.46 129.83 55.91 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.747 0.308 . . . . 72.24 110.766 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.9 m -68.76 150.33 47.99 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.773 -0.649 . . . . 71.42 111.04 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.76 19.55 1.15 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.16 0.505 . . . . 64.4 110.552 179.006 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -102.12 -130.73 7.11 Favored Glycine 0 N--CA 1.444 -0.8 0 C-N-CA 120.796 -0.716 . . . . 45.01 112.016 179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -150.75 65.05 0.93 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.457 0.646 . . . . 74.44 110.53 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -172.57 128.17 0.52 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.698 -0.683 . . . . 53.44 109.764 175.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.5 p 173.58 114.93 0.02 OUTLIER 'General case' 0 C--O 1.232 0.155 0 O-C-N 123.527 0.517 . . . . 73.02 111.995 173.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.466 HG22 ' O ' ' A' ' 33' ' ' PHE . 20.7 m -109.99 100.34 10.56 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 N-CA-C 108.875 -0.787 . . . . 63.02 108.875 164.003 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -77.53 82.55 3.96 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.441 -0.799 . . . . 72.32 111.726 -176.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.707 HD11 HD21 ' A' ' 79' ' ' LEU . 92.9 mt -86.11 106.07 16.98 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.858 -0.61 . . . . 64.34 109.766 176.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.654 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 70.5 m-70 -77.88 112.68 15.01 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.063 -0.517 . . . . 75.44 110.191 -179.468 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.523 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 58.7 mt -76.42 122.36 30.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-O 120.883 0.373 . . . . 70.44 110.338 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 49.9 m -131.17 129.79 42.2 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.247 -0.433 . . . . 54.53 110.216 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.466 ' HB3' ' HB2' ' A' ' 24' ' ' LEU . 5.7 t-160 -97.73 149.96 21.74 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.759 -0.46 . . . . 60.0 109.759 -176.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.403 ' HB3' ' OD2' ' A' ' 94' ' ' ASP . . . -67.92 -39.55 83.5 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.666 0.27 . . . . 61.45 110.966 179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -75.7 -34.35 60.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.784 0.326 . . . . 73.04 110.855 177.108 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.466 ' HB2' ' HB3' ' A' ' 21' ' ' HIS . 90.6 mt -106.77 92.9 4.29 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.491 -0.322 . . . . 70.44 110.29 179.497 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 58.2 tptt -50.56 -51.99 43.09 Favored 'General case' 0 N--CA 1.462 0.157 0 O-C-N 123.941 0.775 . . . . 72.15 111.572 -177.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 t -105.2 96.62 6.65 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-O 121.323 0.582 . . . . 75.14 109.9 178.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 37.6 t80 -103.58 114.75 29.25 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.114 -0.699 . . . . 74.22 109.114 179.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 18.3 m -81.91 83.2 7.29 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.879 0.371 . . . . 54.25 111.097 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.523 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -147.83 89.93 1.79 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.258 0.552 . . . . 21.42 110.902 177.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -107.38 123.24 48.08 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.047 -0.723 . . . . 74.31 109.047 174.212 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -135.26 137.13 42.25 Favored 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.774 -0.648 . . . . 75.45 109.649 178.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.3 ptt85 -94.92 100.99 12.75 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.582 0.706 . . . . 55.33 109.747 176.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.466 ' O ' HG22 ' A' ' 15' ' ' VAL . 90.1 m-85 -84.37 169.23 14.83 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 115.433 -0.803 . . . . 73.21 109.712 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.0 p -101.06 149.8 36.54 Favored Pre-proline 0 C--N 1.317 -0.843 0 N-CA-C 109.664 -0.495 . . . . 72.42 109.664 175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.503 ' HB2' ' HA3' ' A' ' 80' ' ' GLY . 59.0 Cg_endo -70.84 15.3 0.3 Allowed 'Trans proline' 0 CA--C 1.532 0.39 0 C-N-CA 122.724 2.283 . . . . 51.42 113.191 -178.119 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 48.2 mt-30 -83.45 -35.61 24.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.84 0.352 . . . . 63.32 111.158 -178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 58.8 ttp -78.46 138.54 38.51 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.241 -0.436 . . . . 74.13 110.464 -175.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.1 m -93.01 155.79 17.31 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.143 -0.317 . . . . 65.35 110.143 176.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.591 ' HB ' ' HA ' ' A' ' 75' ' ' ASP . 28.4 t -65.91 -31.96 56.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.71 0.767 . . . . 64.02 109.797 177.455 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -57.9 -34.22 69.59 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.993 -1.003 . . . . 60.42 111.016 176.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.81 -43.95 82.49 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.002 -0.545 . . . . 74.42 111.892 -176.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 39' ' ' VAL . 10.2 p -67.31 -33.65 64.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 C-N-CA 120.863 -0.335 . . . . 55.34 110.98 -177.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -58.69 -55.11 39.37 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-O 121.117 0.484 . . . . 75.14 110.188 175.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -58.01 -40.43 80.76 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.348 -0.842 . . . . 53.14 111.18 -179.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.442 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 25.2 ttmt -70.58 -35.73 73.2 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.11 -0.495 . . . . 74.54 111.236 -176.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 42' ' ' VAL . 94.8 mt -68.73 -36.97 79.08 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 120.964 0.412 . . . . 53.2 110.259 175.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 26.4 t90 -64.22 -26.38 68.48 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.697 -0.683 . . . . 74.21 110.461 176.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -85.25 -41.28 15.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.281 -0.418 . . . . 74.55 110.734 175.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -67.9 -56.18 10.05 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.873 -0.603 . . . . 74.41 111.684 -175.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 57.4 m -92.81 -22.45 19.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.387 -0.37 . . . . 71.21 110.971 -176.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 69.67 27.2 73.6 Favored Glycine 0 N--CA 1.45 -0.407 0 C-N-CA 120.675 -0.774 . . . . 52.24 112.41 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 30.4 m -124.22 147.56 47.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 110.167 -0.308 . . . . 64.54 110.167 -178.188 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 22.5 m -64.61 136.98 57.56 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.225 0.328 . . . . 63.2 110.835 177.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 30.3 m -80.34 0.39 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 120.953 0.406 . . . . 73.52 111.405 -177.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -80.39 32.06 0.29 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-O 121.742 0.782 . . . . 75.22 110.218 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.543 ' HA ' HD12 ' A' ' 95' ' ' LEU . 47.3 m -147.61 19.94 1.17 Allowed 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.559 0.695 . . . . 54.44 109.302 176.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 54.6 ttp -151.61 101.0 2.75 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.226 -0.897 . . . . 55.24 109.401 -177.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.45 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -87.28 142.78 27.64 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.115 -0.493 . . . . 64.21 111.27 -174.322 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 95.7 mt -101.31 102.48 13.34 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.093 -0.503 . . . . 74.22 109.982 178.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.994 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 6.3 mm-40 -90.42 110.82 21.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.83 -0.623 . . . . 74.12 110.378 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.583 ' HB3' ' O ' ' A' ' 69' ' ' VAL . 54.0 tp -84.07 107.11 16.22 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 109.51 -0.552 . . . . 52.12 109.51 177.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.468 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 2.0 m-85 -83.47 120.49 25.98 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.855 -0.611 . . . . 72.31 111.328 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.87 138.66 35.68 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 107.69 -1.226 . . . . 75.31 107.69 168.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -97.98 -0.96 43.79 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.134 0.493 . . . . 73.43 111.03 -171.22 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 45.0 t -84.98 -38.64 19.03 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.029 -0.73 . . . . 53.42 109.029 175.26 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -114.98 -91.15 1.77 Allowed Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.577 -0.738 . . . . 62.34 111.521 174.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 68.2 m -165.95 -62.08 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.768 0.318 . . . . 75.32 111.477 -178.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.438 ' HE2' ' OE2' ' A' ' 60' ' ' GLU . 42.6 tttm -131.03 125.67 33.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.491 -0.322 . . . . 54.44 111.473 -168.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.583 ' O ' ' HB3' ' A' ' 61' ' ' LEU . 25.2 m -138.91 145.56 27.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 N-CA-C 109.735 -0.468 . . . . 75.05 109.735 175.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.64 107.59 0.07 Allowed 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.294 -0.412 . . . . 72.42 111.004 177.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 60.9 t -78.5 -53.87 13.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.149 -0.686 . . . . 60.25 109.149 174.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 18.6 tp 71.65 8.42 6.16 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.113 -0.949 . . . . 63.1 111.101 173.353 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 34.9 t -94.62 -15.9 23.63 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.683 -1.228 . . . . 73.41 107.683 169.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -84.76 -8.9 58.65 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 113.903 -1.499 . . . . 72.25 110.953 -178.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.591 ' HA ' ' HB ' ' A' ' 39' ' ' VAL . 0.5 OUTLIER -64.46 -28.75 69.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.212 -0.449 . . . . 72.43 110.393 -177.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.1 m -88.9 4.03 49.32 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.793 -0.64 . . . . 63.21 110.48 -177.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 17.4 mmm-85 -119.19 168.79 9.21 Favored Pre-proline 0 C--N 1.327 -0.375 0 N-CA-C 109.174 -0.676 . . . . 61.24 109.174 -179.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -62.79 145.74 94.89 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 121.985 1.79 . . . . 74.13 110.944 173.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.707 HD21 HD11 ' A' ' 17' ' ' LEU . 22.5 tp -60.02 -26.47 66.12 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.953 0.406 . . . . 75.53 110.879 -177.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.503 ' HA3' ' HB2' ' A' ' 35' ' ' PRO . . . -74.7 -10.29 83.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.988 -0.625 . . . . 73.41 112.902 179.698 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -73.54 -38.71 65.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.108 0.48 . . . . 73.43 109.73 178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -89.76 -40.55 12.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.76 -0.655 . . . . 72.15 109.573 175.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 t 63.94 80.32 0.24 Allowed Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 115.447 -0.797 . . . . 53.45 111.813 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.406 ' HB2' HD21 ' A' ' 17' ' ' LEU . 2.9 Cg_exo -77.01 130.69 11.47 Favored 'Trans proline' 0 N--CA 1.459 -0.507 0 C-N-CA 122.881 2.387 . . . . 61.31 111.078 174.265 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 80.0 m-85 -94.78 -173.45 3.0 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-O 121.07 0.462 . . . . 72.13 111.51 -174.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -70.5 -11.24 60.8 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.508 -0.769 . . . . 61.15 112.558 -172.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.37 -2.17 80.21 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.678 -0.772 . . . . 45.22 112.685 -178.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -99.51 145.97 26.9 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.268 0.556 . . . . 74.22 111.67 -176.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.654 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 77.9 mtt180 -128.09 145.92 50.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.774 -0.648 . . . . 74.43 109.973 178.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.516 HD11 HD13 ' A' ' 17' ' ' LEU . 83.9 mt -100.85 106.13 17.47 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 110.161 -0.311 . . . . 71.34 110.161 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.994 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 9.4 t-160 -94.78 105.14 17.06 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.03 0.443 . . . . 54.41 110.31 -179.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 74.2 mt -79.15 108.68 13.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.665 -0.698 . . . . 74.41 110.201 179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.45 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 31.4 mm -81.86 124.59 39.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.972 0.415 . . . . 61.44 110.999 -178.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.403 ' OD2' ' HB3' ' A' ' 22' ' ' ALA . 37.3 m-20 -93.1 121.08 34.08 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.71 -0.677 . . . . 74.32 109.744 177.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.543 HD12 ' HA ' ' A' ' 56' ' ' SER . 94.2 mt -101.87 -157.31 0.6 Allowed 'General case' 0 C--N 1.319 -0.722 0 N-CA-C 109.393 -0.595 . . . . 72.0 109.393 175.531 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -97.14 117.07 66.08 Favored Pre-proline 0 C--N 1.323 -0.571 0 C-N-CA 121.016 -0.273 . . . . 72.41 110.283 -177.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 18.9 Cg_exo . . . . . 0 C--O 1.246 0.917 0 C-N-CA 123.137 2.558 . . . . 73.52 112.096 -179.167 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.6 mtt . . . . . 0 N--CA 1.479 1.019 0 CA-C-O 120.712 0.291 . . . . 75.13 110.361 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.28 -170.02 26.16 Favored Glycine 0 N--CA 1.446 -0.679 0 C-N-CA 120.934 -0.65 . . . . 71.24 112.11 179.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 32.9 m80 63.25 -160.01 0.31 Allowed 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 122.728 0.411 . . . . 64.15 110.34 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.3 p-80 -130.31 122.63 28.32 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.046 0.45 . . . . 75.22 109.878 174.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -92.89 78.38 4.71 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.155 -0.475 . . . . 51.41 110.536 -176.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -119.8 -50.72 2.28 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.871 -0.331 . . . . 75.2 110.979 -177.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 59.0 m170 65.49 103.09 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.386 0 O-C-N 123.811 0.694 . . . . 72.23 110.685 -176.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 14.7 t-80 -58.05 -39.74 79.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.307 -0.406 . . . . 74.24 110.448 -177.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.1 t 61.92 -165.1 0.23 Allowed 'General case' 0 CA--C 1.539 0.52 0 O-C-N 123.753 0.658 . . . . 63.31 111.423 173.149 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -143.68 34.95 1.28 Allowed 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.949 -0.569 . . . . 74.31 109.824 177.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -80.52 60.58 4.55 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.829 -0.623 . . . . 15.01 112.001 -178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -101.13 94.4 5.96 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.083 0.468 . . . . 52.34 111.268 -176.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -171.29 -179.93 2.79 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 108.236 -1.024 . . . . 71.44 108.236 176.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.509 ' HB3' ' O ' ' A' ' 33' ' ' PHE . 28.1 m 61.52 -172.18 0.15 Allowed 'General case' 0 CA--C 1.533 0.322 0 O-C-N 123.406 0.441 . . . . 73.24 111.023 -179.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -114.94 143.01 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 120.872 0.368 . . . . 62.24 110.353 177.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.529 ' HB2' ' HB2' ' A' ' 86' ' ' ASP . 0.1 OUTLIER -98.36 94.59 6.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.059 -0.519 . . . . 73.24 110.982 179.003 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 96.2 mt -96.98 121.53 38.97 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.651 -0.704 . . . . 73.22 109.592 177.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.877 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 37.8 m-70 -87.79 116.34 25.87 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.476 -0.329 . . . . 62.41 110.252 -178.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 69.0 mt -81.82 116.98 27.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.973 -0.558 . . . . 72.15 110.284 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.545 ' OG1' ' HA ' ' A' ' 91' ' ' HIS . 40.9 p -118.8 137.13 53.61 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.156 -0.475 . . . . 74.03 110.524 179.595 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 -95.17 131.8 40.8 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.133 -0.692 . . . . 75.01 109.133 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.434 ' HA ' ' NE2' ' A' ' 91' ' ' HIS . . . -56.11 -44.92 79.57 Favored 'General case' 0 N--CA 1.466 0.34 0 N-CA-C 112.142 0.423 . . . . 71.42 112.142 -175.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 t-20 -75.32 -18.6 59.98 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.266 -0.424 . . . . 62.15 111.875 -178.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.9 mt -130.4 97.55 4.44 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 111.916 0.339 . . . . 75.12 111.916 -173.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.7 ttpp -66.71 -24.34 66.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.035 0.445 . . . . 74.34 110.475 176.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.5 m -66.19 -26.19 67.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.942 -0.572 . . . . 73.15 110.785 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -88.06 102.43 14.76 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.185 -0.461 . . . . 73.21 109.973 -179.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.5 m -145.52 63.2 1.27 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.725 -0.671 . . . . 75.03 109.978 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -85.25 134.37 34.14 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.781 -0.645 . . . . 43.25 110.657 -177.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.454 ' HA ' ' HA ' ' A' ' 18' ' ' HIS . 5.7 p-10 -81.14 129.84 34.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.099 0.476 . . . . 75.33 109.836 177.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -113.19 160.63 18.06 Favored 'General case' 0 C--N 1.315 -0.891 0 CA-C-N 116.056 -0.52 . . . . 72.25 109.68 176.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 8.2 ptp180 -116.06 118.93 34.26 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.341 0.591 . . . . 64.43 110.126 -178.329 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.509 ' O ' ' HB3' ' A' ' 14' ' ' SER . 90.6 m-85 -127.27 153.71 45.81 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.838 -0.619 . . . . 65.23 110.015 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 1.6 p -96.92 117.75 65.56 Favored Pre-proline 0 C--N 1.317 -0.834 0 CA-C-N 116.138 -0.483 . . . . 74.51 109.959 176.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 26.2 Cg_endo -62.79 -5.14 6.86 Favored 'Trans proline' 0 C--N 1.347 0.453 0 C-N-CA 122.999 2.466 . . . . 74.2 113.254 -176.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -69.12 -19.8 64.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.858 0.361 . . . . 75.4 110.198 173.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.9 ttt -88.94 136.63 32.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.86 -0.609 . . . . 64.35 110.306 -179.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.5 m -79.58 139.99 37.31 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.266 -0.424 . . . . 70.22 110.628 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -62.48 -27.19 42.29 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 CA-C-O 121.248 0.547 . . . . 72.21 110.568 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.606 ' HA ' ' NZ ' ' A' ' 43' ' ' LYS . 6.0 tp10 -59.19 -32.43 69.91 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.776 -0.647 . . . . 74.03 111.059 178.254 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.33 4.16 53.92 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.866 0.365 . . . . 70.51 111.313 -176.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 39.2 t -97.61 -30.74 3.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.477 -0.329 . . . . 61.42 111.051 -178.37 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.606 ' NZ ' ' HA ' ' A' ' 40' ' ' GLU . 59.2 mttp -56.12 -57.01 14.0 Favored 'General case' 0 N--CA 1.464 0.256 0 CA-C-N 116.058 -0.519 . . . . 70.45 112.039 -174.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.12 -38.82 92.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.42 -0.354 . . . . 74.25 111.004 -177.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -61.38 -42.94 99.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.292 -0.413 . . . . 71.04 110.853 -178.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 88.9 mt -66.42 -40.7 89.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.855 0.359 . . . . 73.1 110.467 178.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 16.8 t90 -61.04 -46.6 90.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.657 -0.701 . . . . 74.43 111.036 178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.6 mtpt -79.0 -6.35 56.13 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.363 -0.38 . . . . 72.14 111.187 -178.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -90.64 -50.68 5.79 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.407 -0.36 . . . . 73.24 110.705 178.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.7 t -170.08 -24.76 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.245 0 CA-C-N 116.227 -0.442 . . . . 71.41 111.677 -174.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -69.26 172.33 38.14 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.896 -0.668 . . . . 45.12 112.668 -178.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 7.6 p -90.13 -175.31 4.5 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.567 0.222 . . . . 65.34 111.193 -178.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -57.69 134.04 55.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 62.53 111.341 -175.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 23.6 t -68.82 88.86 0.18 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.217 0 CA-C-O 121.104 0.478 . . . . 74.04 109.9 178.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.6 t30 178.36 -58.88 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.066 -0.97 . . . . 71.32 109.015 -175.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.95 -13.13 36.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 114.956 -1.02 . . . . 74.11 110.475 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 56.9 ttp -98.03 101.95 13.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.652 -0.704 . . . . 64.32 109.926 174.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.549 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -99.82 145.87 27.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.86 0.362 . . . . 52.23 111.189 -178.689 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.7 mt -108.93 96.18 6.15 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.274 -0.421 . . . . 75.34 110.523 178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -102.18 111.14 23.3 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.07 0.462 . . . . 75.14 110.95 179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.728 ' H ' ' HB2' ' A' ' 70' ' ' ALA . 41.7 tp -82.41 110.09 17.23 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.903 -0.59 . . . . 71.14 110.233 178.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 9.1 m-30 -89.09 140.12 29.77 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.971 -0.559 . . . . 62.25 110.876 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.464 ' HB2' HG13 ' A' ' 69' ' ' VAL . 27.5 t70 -82.09 78.46 8.77 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.051 -0.722 . . . . 75.31 109.051 173.565 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 22.1 t70 70.55 -65.69 0.32 Allowed 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 114.545 -1.207 . . . . 74.11 111.13 -177.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 68.3 m -168.62 120.09 0.78 Allowed 'General case' 0 C--N 1.318 -0.797 0 C-N-CA 123.858 0.863 . . . . 32.22 108.95 -179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.79 141.98 3.08 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.563 -0.827 . . . . 74.34 111.306 -175.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 66.3 m 62.92 103.06 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.627 0.727 . . . . 71.14 111.102 -175.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 11.0 pttp -91.63 132.52 36.28 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.926 -0.579 . . . . 74.05 109.774 -179.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.464 HG13 ' HB2' ' A' ' 63' ' ' ASP . 29.7 m -98.84 9.98 7.05 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.74 0 CA-C-O 121.329 0.585 . . . . 60.11 110.838 -174.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.728 ' HB2' ' H ' ' A' ' 61' ' ' LEU . . . -84.27 87.02 7.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.758 -0.655 . . . . 75.44 110.813 177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 13.6 p -89.38 -21.44 6.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.985 -0.552 . . . . 74.4 110.397 178.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.6 mm? 56.14 80.94 0.13 Allowed 'General case' 0 C--O 1.235 0.307 0 CA-C-N 115.688 -0.687 . . . . 62.53 111.033 -176.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 28.3 t -138.42 -36.17 0.58 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.437 -0.802 . . . . 71.43 109.69 178.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -104.24 26.28 9.05 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.465 0.65 . . . . 72.21 109.675 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.462 ' CG ' ' HZ1' ' A' ' 43' ' ' LYS . 12.2 t70 -59.83 -42.41 93.51 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 114.874 -1.057 . . . . 72.0 111.407 -178.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 57.1 m -96.12 17.34 15.83 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.223 -0.444 . . . . 74.12 111.431 179.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.7 mmp_? -110.25 160.2 29.22 Favored Pre-proline 0 C--N 1.325 -0.478 0 N-CA-C 110.09 -0.337 . . . . 75.22 110.09 179.249 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -68.88 106.86 1.57 Allowed 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.334 2.023 . . . . 74.13 111.268 173.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.481 HD13 ' O ' ' A' ' 79' ' ' LEU . 1.5 tm? -61.72 -32.53 72.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.233 -0.44 . . . . 73.04 110.417 -176.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -65.54 -14.92 60.9 Favored Glycine 0 CA--C 1.518 0.256 0 CA-C-N 115.867 -0.606 . . . . 75.21 112.872 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -78.74 -31.69 46.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.055 0.455 . . . . 72.43 109.879 175.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -78.04 -74.47 0.26 Allowed 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.747 -0.66 . . . . 74.42 109.928 -178.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.9 m -162.32 129.83 2.67 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-N 116.401 -0.363 . . . . 73.21 111.032 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 74.4 Cg_endo -83.68 126.72 4.1 Favored 'Trans proline' 0 N--CA 1.457 -0.623 0 C-N-CA 122.237 1.958 . . . . 70.2 111.431 171.408 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -146.75 162.09 39.28 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.853 0.359 . . . . 71.41 111.593 -176.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.529 ' HB2' ' HB2' ' A' ' 16' ' ' HIS . 4.6 p-10 -141.67 146.62 36.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.026 -0.534 . . . . 65.32 109.749 175.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 126.82 -31.48 3.91 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.424 -0.893 . . . . 72.23 112.221 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.565 ' HB3' HD11 ' A' ' 61' ' ' LEU . 74.5 m-85 -66.5 146.89 54.03 Favored 'General case' 0 C--O 1.237 0.422 0 CA-C-O 120.913 0.387 . . . . 61.12 110.163 178.107 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.877 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 56.4 mtm180 -119.51 127.61 53.19 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.035 0.445 . . . . 74.23 111.141 -176.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 76.7 mt -82.0 108.83 15.81 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.51 -0.768 . . . . 74.52 109.892 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.545 ' HA ' ' OG1' ' A' ' 20' ' ' THR . 5.7 t-160 -92.16 96.35 10.27 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.863 -0.791 . . . . 71.2 108.863 178.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 56.7 mt -68.76 111.82 3.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.876 -0.602 . . . . 74.53 110.303 -177.534 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.549 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 42.8 mm -93.0 78.81 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.688 0 N-CA-C 108.997 -0.742 . . . . 63.24 108.997 178.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.8 p-10 -90.63 99.8 12.76 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.651 0.739 . . . . 61.54 109.753 176.571 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.525 ' HG ' HG22 ' A' ' 93' ' ' ILE . 86.5 mt -103.84 21.51 16.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.493 -0.776 . . . . 73.44 110.775 -175.813 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.444 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 4.7 m-20 -55.78 136.89 71.96 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.105 -0.498 . . . . 71.41 110.722 178.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.444 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 50.9 Cg_exo . . . . . 0 C--O 1.246 0.887 0 C-N-CA 123.294 2.663 . . . . 62.34 112.572 -178.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 121.013 0.435 . . . . 63.13 110.32 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.71 71.81 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.942 -0.647 . . . . 53.45 112.005 -178.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -67.47 109.86 3.38 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.773 0.32 . . . . 64.15 110.198 177.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -92.97 126.01 37.84 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.033 0.444 . . . . 63.02 111.374 -176.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -117.26 157.28 26.33 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.824 -0.625 . . . . 72.1 109.613 176.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -125.04 142.56 51.41 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.956 0.408 . . . . 75.03 111.045 -178.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 71.5 m-70 -86.36 57.52 4.53 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.912 -0.773 . . . . 64.01 108.912 175.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -87.33 110.75 20.46 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.635 -0.711 . . . . 75.4 110.536 -175.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.8 p -58.79 139.21 56.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.31 110.822 178.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 35.0 p-80 -150.46 148.39 28.68 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.562 -0.29 . . . . 62.43 110.649 -177.552 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -71.65 121.76 8.94 Favored Glycine 0 N--CA 1.443 -0.835 0 N-CA-C 108.892 -1.683 . . . . 60.54 108.892 165.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -76.15 80.95 2.97 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.751 0.786 . . . . 72.42 111.539 -169.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -145.61 106.41 4.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.6 -1.182 . . . . 71.53 108.818 176.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.768 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 55.8 m -152.61 161.57 42.4 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.475 -0.329 . . . . 52.35 110.633 -175.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 33.5 m -95.5 169.39 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.128 -0.487 . . . . 72.33 110.502 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -122.48 84.04 2.2 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.471 -0.331 . . . . 63.32 110.151 -176.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.418 HD12 ' HD2' ' A' ' 33' ' ' PHE . 86.2 mt -76.74 110.46 11.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.071 0.462 . . . . 64.25 110.146 -178.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.406 ' HB2' ' HD3' ' A' ' 89' ' ' ARG . 59.4 m-70 -85.15 102.83 13.6 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.84 -0.618 . . . . 74.43 110.29 -175.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.516 HD13 ' HB2' ' A' ' 90' ' ' LEU . 51.3 mm -88.03 122.59 39.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.058 -0.519 . . . . 52.03 110.405 -178.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 7.9 m -139.22 125.09 19.72 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.35 -0.386 . . . . 52.13 110.705 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.412 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 7.7 m-70 -84.57 160.84 20.38 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.5 -0.318 . . . . 73.13 110.61 178.069 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -94.59 -27.49 15.89 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.205 0.526 . . . . 44.21 109.76 176.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -74.11 -53.13 10.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.5 -0.773 . . . . 72.41 109.807 176.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mp -99.46 101.51 12.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.849 -0.614 . . . . 72.41 109.482 176.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.9 pttt -77.47 -21.56 52.68 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.078 -0.51 . . . . 72.15 111.519 -175.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.6 m -97.28 9.96 40.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.18 0.514 . . . . 75.4 110.569 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -94.21 93.0 7.52 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.367 -0.605 . . . . 74.2 109.367 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.8 m -113.68 99.53 7.79 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.809 -0.632 . . . . 63.51 110.341 -179.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.37 127.19 50.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.057 -0.519 . . . . 73.23 109.886 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -100.87 105.06 16.3 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.142 0.496 . . . . 71.44 109.82 179.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.52 ' HB1' ' CE2' ' A' ' 33' ' ' PHE . . . -93.5 100.04 12.4 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.597 -0.729 . . . . 71.1 111.05 -175.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 32' ' ' ARG . 4.4 ptm180 -87.36 122.3 30.94 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.802 -0.636 . . . . 71.11 109.94 178.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.52 ' CE2' ' HB1' ' A' ' 31' ' ' ALA . 67.9 m-85 -133.67 139.43 46.45 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.906 -0.588 . . . . 75.41 110.448 -179.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.424 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 22.3 m -69.45 136.09 88.56 Favored Pre-proline 0 C--N 1.321 -0.646 0 N-CA-C 109.365 -0.606 . . . . 61.02 109.365 174.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.768 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 6.1 Cg_exo -72.61 77.07 2.25 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.512 2.141 . . . . 34.33 112.576 -175.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -176.29 74.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.962 -0.563 . . . . 74.25 109.939 173.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.5 ttt -153.15 147.02 25.29 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.964 -0.562 . . . . 70.55 109.841 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -86.18 134.84 33.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 120.968 0.413 . . . . 73.31 110.356 177.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.517 HG11 HD21 ' A' ' 72' ' ' LEU . 36.3 t -64.07 -29.89 48.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.024 -0.535 . . . . 72.34 110.627 179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -60.62 -29.27 69.13 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.812 -0.631 . . . . 71.33 110.855 178.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.23 -44.11 31.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 53.43 111.136 -179.31 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.55 -36.35 70.63 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 C-N-CA 120.808 -0.357 . . . . 73.04 110.808 -178.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 92.6 mttt -61.39 -37.4 83.29 Favored 'General case' 0 C--O 1.233 0.213 0 CA-C-O 120.952 0.406 . . . . 74.32 110.513 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.406 ' HG2' ' HE3' ' A' ' 48' ' ' LYS . 36.4 tt0 -65.02 -41.55 95.2 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.202 -0.454 . . . . 73.2 110.974 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -67.46 -31.92 72.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.487 -0.324 . . . . 75.33 110.378 -178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 93.5 mt -72.83 -39.4 66.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.148 -0.478 . . . . 72.13 110.196 175.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 90.5 t90 -57.63 -38.37 74.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.699 -0.682 . . . . 73.43 110.569 177.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.406 ' HE3' ' HG2' ' A' ' 44' ' ' GLU . 99.4 mttt -67.35 -5.23 13.52 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.839 -0.619 . . . . 74.34 112.345 -178.226 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.4 tptt -81.67 -42.96 19.19 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.867 0.365 . . . . 70.43 110.901 179.69 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.7 p -110.6 -25.47 9.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.292 -0.413 . . . . 72.54 111.647 -177.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 76.99 25.71 63.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.675 -0.774 . . . . 44.14 111.561 -176.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 24.3 m -142.84 138.29 30.21 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.46 -0.57 . . . . 62.25 109.46 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.5 m -59.75 138.14 57.85 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.916 0.388 . . . . 72.1 111.282 -177.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 39.3 t -70.66 108.59 2.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.975 -0.557 . . . . 72.33 109.87 179.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -139.64 -32.47 0.64 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.076 -0.511 . . . . 54.14 111.325 -177.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.8 p -81.09 -59.85 2.5 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.867 0.365 . . . . 64.13 111.115 179.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 51.5 ttm -67.22 120.5 13.88 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.194 -0.457 . . . . 64.54 110.573 -179.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.511 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -89.2 140.23 29.68 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.3 -0.409 . . . . 73.3 111.319 -175.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 88.7 mt -113.64 118.1 33.44 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.975 -0.557 . . . . 74.14 109.588 178.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -109.78 135.32 50.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.942 0.401 . . . . 65.41 111.418 -177.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.672 ' HB3' ' HA ' ' A' ' 70' ' ' ALA . 65.9 tp -101.79 109.21 20.92 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.481 -0.781 . . . . 74.2 109.759 177.084 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.456 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 63.2 m-85 -110.15 133.47 53.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.206 0.527 . . . . 74.11 111.795 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.807 ' HB3' ' HB2' ' A' ' 67' ' ' SER . 6.8 t70 -86.95 118.22 26.19 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.331 -0.849 . . . . 74.35 109.587 174.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.0 t70 70.08 -63.73 0.38 Allowed 'General case' 0 C--O 1.235 0.291 0 O-C-N 124.211 0.944 . . . . 62.11 110.817 -177.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 74.7 m -164.79 -65.57 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.89 -0.596 . . . . 71.1 111.237 -179.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -95.0 -13.68 52.02 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 120.566 -0.826 . . . . 55.5 114.104 -170.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.807 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 15.7 m -74.4 106.32 5.96 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 117.237 0.519 . . . . 75.13 110.601 -178.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -82.21 89.95 6.56 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.033 0.444 . . . . 61.01 109.91 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 21.1 m -111.27 40.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.929 -0.578 . . . . 75.32 110.869 -175.594 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.672 ' HA ' ' HB3' ' A' ' 61' ' ' LEU . . . -70.26 93.59 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.838 -0.619 . . . . 62.24 111.388 -177.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.5 p -146.23 119.05 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.965 -0.561 . . . . 73.14 110.202 176.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.517 HD21 HG11 ' A' ' 39' ' ' VAL . 59.9 tp -146.24 119.32 8.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.074 -0.512 . . . . 74.31 110.169 -179.501 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.4 t -122.31 -24.05 5.13 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.277 -0.42 . . . . 73.54 110.861 -178.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.725 ' HB2' ' HB2' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -96.06 52.29 1.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.074 0.464 . . . . 55.55 111.096 -178.501 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.411 ' HA ' ' HB ' ' A' ' 39' ' ' VAL . 3.4 m-20 -57.65 -38.85 75.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.447 0.642 . . . . 54.51 110.885 177.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.3 p -90.35 21.73 3.72 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.702 -0.681 . . . . 64.44 111.564 -177.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.725 ' HB2' ' HB2' ' A' ' 74' ' ' ASP . 13.9 mmt180 -125.16 154.8 71.72 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.18 -0.464 . . . . 73.3 110.531 179.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.563 ' O ' ' HD1' ' A' ' 81' ' ' PHE . 53.5 Cg_endo -71.59 121.59 7.83 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.563 2.175 . . . . 71.22 112.211 178.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 54.8 tp -53.94 -19.8 5.17 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 116.094 -0.503 . . . . 74.33 111.756 179.588 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.41 -31.83 77.82 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.005 -0.616 . . . . 73.11 113.481 -177.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . 0.563 ' HD1' ' O ' ' A' ' 78' ' ' PRO . 0.7 OUTLIER -83.69 -13.33 54.35 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 117.43 0.615 . . . . 74.12 110.265 -177.0 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 87.0 t80 -77.83 -23.98 48.81 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.8 -0.636 . . . . 71.45 110.482 178.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 16.5 m 64.79 90.78 0.08 OUTLIER Pre-proline 0 C--O 1.234 0.246 0 CA-C-N 115.839 -0.619 . . . . 74.22 110.793 -176.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -78.26 164.42 26.74 Favored 'Trans proline' 0 N--CA 1.463 -0.302 0 C-N-CA 122.666 2.244 . . . . 73.33 112.579 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -73.81 -68.7 0.49 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.964 -0.562 . . . . 72.21 110.266 179.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -174.07 -68.63 0.01 OUTLIER 'General case' 0 CA--C 1.517 -0.292 0 CA-C-O 121.231 0.539 . . . . 72.14 109.981 175.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -141.59 97.04 0.2 Allowed Glycine 0 N--CA 1.439 -1.16 0 C-N-CA 120.679 -0.772 . . . . 65.22 112.515 -177.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -81.05 163.14 23.43 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.803 0.335 . . . . 74.04 110.209 178.138 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.456 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 23.0 mmt180 -95.38 98.54 10.64 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.11 -0.495 . . . . 74.1 110.575 177.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.516 ' HB2' HD13 ' A' ' 19' ' ' ILE . 91.2 mt -85.15 83.79 7.9 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.881 -0.785 . . . . 72.31 108.881 175.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 38.6 t-80 -87.83 100.64 13.02 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.381 -0.827 . . . . 72.51 110.003 -176.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 72.2 mt -69.02 115.34 7.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.304 -0.862 . . . . 75.03 110.274 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.511 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 43.9 mm -83.03 102.63 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.604 0 CA-C-N 115.98 -0.555 . . . . 72.21 109.503 179.309 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 13.0 m-20 -70.27 88.52 0.63 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.918 -0.583 . . . . 74.4 110.441 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.4 HD22 ' HA ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -83.95 12.38 6.31 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.558 -0.746 . . . . 73.43 109.935 178.822 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -113.67 93.5 28.55 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.333 -0.849 . . . . 70.22 109.762 179.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo . . . . . 0 C--O 1.246 0.915 0 C-N-CA 123.187 2.591 . . . . 70.44 111.919 -178.616 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 ptm . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.685 0.279 . . . . 73.35 110.463 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.55 76.29 1.32 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.786 -0.721 . . . . 62.53 112.953 176.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -148.47 96.37 2.59 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.126 -0.324 . . . . 74.15 110.126 177.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -76.29 162.48 27.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.469 0.652 . . . . 72.41 111.728 -179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.3 t-80 -141.35 63.85 1.43 Allowed 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 107.072 -1.455 . . . . 73.12 107.072 172.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 80.6 t60 -119.75 103.31 9.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.747 -0.66 . . . . 71.04 111.602 -171.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.3 m80 -139.28 -178.07 5.2 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.821 -0.627 . . . . 71.11 109.537 174.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -141.36 79.71 1.7 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.309 0.576 . . . . 73.14 110.779 176.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 t -100.26 99.5 10.18 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.417 -0.811 . . . . 75.42 109.268 176.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 66.6 t-80 -68.24 106.57 2.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.051 -0.522 . . . . 62.54 109.913 -177.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 153.1 -33.08 0.79 Allowed Glycine 0 N--CA 1.441 -0.983 0 C-N-CA 120.65 -0.786 . . . . 74.12 111.953 -178.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 28.8 t70 57.67 43.0 22.95 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.922 0.868 . . . . 65.33 109.062 -178.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -76.41 84.43 3.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 114.872 -1.058 . . . . 72.31 109.936 -177.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.0 m -155.52 165.93 35.07 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.155 -0.475 . . . . 52.51 109.863 -178.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.65 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 19.3 m -92.17 126.31 44.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.84 -0.43 . . . . 62.13 109.84 176.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -90.43 89.15 7.46 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.128 0.489 . . . . 45.11 110.931 -174.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 84.7 mt -88.75 108.12 19.32 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.026 -0.534 . . . . 75.21 110.064 178.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -79.76 125.23 29.4 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.873 0.368 . . . . 71.21 110.775 -174.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.467 ' HA ' ' HB2' ' A' ' 90' ' ' LEU . 65.7 mt -85.5 121.93 37.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.107 -0.497 . . . . 74.12 110.294 179.258 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.475 ' O ' ' HA ' ' A' ' 91' ' ' HIS . 21.2 m -111.21 105.5 14.21 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.068 0.461 . . . . 72.52 109.887 179.522 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 9.6 t-160 -82.53 147.99 28.34 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.005 -0.543 . . . . 73.43 109.669 -177.548 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.8 -63.93 1.07 Allowed 'General case' 0 C--O 1.233 0.209 0 N-CA-C 111.674 0.25 . . . . 65.11 111.674 -176.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 82.2 m-20 -64.15 -48.03 77.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.76 0.314 . . . . 74.23 110.837 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.473 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 8.4 mp -88.02 91.63 8.84 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.349 -0.612 . . . . 72.41 109.349 175.561 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -64.81 -39.04 92.94 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.583 -0.735 . . . . 72.13 112.289 -173.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.5 m -97.89 79.93 2.7 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.198 0.523 . . . . 61.42 110.611 179.482 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.405 ' CE2' ' HB3' ' A' ' 29' ' ' ALA . 35.7 t80 -98.29 95.16 7.19 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.882 -0.784 . . . . 62.24 108.882 177.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.9 m -85.45 79.19 9.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.949 -0.568 . . . . 73.25 111.12 -176.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.405 ' HB3' ' CE2' ' A' ' 27' ' ' PHE . . . -159.9 112.84 2.14 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.803 -0.635 . . . . 53.51 110.805 178.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -94.51 130.73 40.79 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.708 -0.478 . . . . 65.32 109.708 174.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.421 ' HB1' ' HE2' ' A' ' 33' ' ' PHE . . . -86.93 87.39 7.45 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 109.493 -0.558 . . . . 73.44 109.493 177.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.65 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 8.5 ptp180 -88.71 114.1 24.98 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.391 0.615 . . . . 73.14 110.696 -177.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.421 ' HE2' ' HB1' ' A' ' 31' ' ' ALA . 96.0 m-85 -124.12 161.59 25.31 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.698 -0.683 . . . . 71.21 109.798 177.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.461 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 19.6 m -55.65 135.63 71.44 Favored Pre-proline 0 C--N 1.325 -0.5 0 CA-C-N 116.213 -0.448 . . . . 74.05 110.728 179.014 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.461 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 37.3 Cg_exo -61.57 -12.8 26.26 Favored 'Trans proline' 0 C--N 1.343 0.255 0 C-N-CA 122.885 2.39 . . . . 65.31 112.328 -179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.441 ' HA ' ' HB3' ' A' ' 78' ' ' PRO . 69.6 mt-30 -88.2 -3.52 58.86 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.992 -0.549 . . . . 73.5 111.058 179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 24.7 ttt -83.82 139.89 32.38 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.213 -0.449 . . . . 73.52 111.037 -179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.438 ' HB2' ' O ' ' A' ' 75' ' ' ASP . 9.4 p -101.56 162.34 12.97 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-N 115.709 -0.678 . . . . 71.35 110.12 175.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.515 ' O ' HG12 ' A' ' 42' ' ' VAL . 8.7 p -69.38 -13.93 17.82 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 CA-C-O 121.415 0.626 . . . . 73.4 110.494 -177.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -58.09 -33.29 68.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.769 -0.651 . . . . 54.1 110.84 176.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.43 8.43 5.13 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 112.604 0.594 . . . . 75.23 112.604 -171.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.515 HG12 ' O ' ' A' ' 39' ' ' VAL . 7.4 p -122.53 -12.08 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 C-N-CA 120.681 -0.408 . . . . 75.34 110.81 177.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -62.54 -58.83 6.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.245 0.545 . . . . 65.55 111.305 -175.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -73.19 -26.72 61.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.552 -0.749 . . . . 70.34 110.392 -177.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.462 ' HE3' ' HB2' ' A' ' 45' ' ' LYS . 30.5 ttmt -66.06 -43.59 87.0 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.286 -0.87 . . . . 74.11 110.692 -177.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 90.5 mt -74.88 -33.52 62.08 Favored 'General case' 0 C--O 1.236 0.352 0 CA-C-O 120.964 0.412 . . . . 64.42 110.514 177.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -58.45 -46.58 86.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.705 -0.679 . . . . 62.35 111.211 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.6 ptmt -82.46 0.42 42.36 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.83 0.348 . . . . 75.33 111.294 -176.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.532 ' HG2' ' SG ' ' A' ' 50' ' ' CYS . 56.3 tttp -88.05 -61.05 1.8 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.361 -0.381 . . . . 75.55 110.965 178.405 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.532 ' SG ' ' HG2' ' A' ' 49' ' ' LYS . 63.3 m -112.54 6.58 18.54 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 111.724 0.268 . . . . 73.23 111.724 -174.66 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.12 48.58 85.41 Favored Glycine 0 C--N 1.331 0.287 0 C-N-CA 120.74 -0.743 . . . . 40.43 112.211 -179.403 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.6 t -133.25 158.99 41.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.707 0.289 . . . . 65.02 110.421 -175.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.0 m -96.18 149.19 21.91 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.117 -0.492 . . . . 74.24 109.997 179.192 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 34.9 m -65.5 -16.21 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-O 120.875 0.369 . . . . 73.03 111.539 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -81.41 -19.14 43.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.399 0.619 . . . . 63.42 109.997 177.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 15.9 m -91.18 2.39 56.38 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.896 -0.593 . . . . 52.42 110.271 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 28.1 ttt -122.5 97.84 5.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.559 -0.746 . . . . 71.12 109.759 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.542 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -72.93 111.44 8.06 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.14 0.495 . . . . 74.25 111.198 -176.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.412 ' CD2' HG12 ' A' ' 92' ' ' ILE . 95.6 mt -113.6 107.52 15.91 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.705 -0.679 . . . . 65.22 110.82 -179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.665 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 51.8 mt-10 -91.73 95.44 9.88 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.027 0.442 . . . . 74.23 110.156 178.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.519 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 65.2 tp -79.56 100.44 7.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.767 -0.651 . . . . 74.41 110.823 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.581 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 24.1 m-85 -90.75 160.3 15.88 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.652 -0.499 . . . . 64.25 109.652 176.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -61.51 -47.41 85.72 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.42 -0.585 . . . . 64.31 109.42 171.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.744 ' HA ' ' HG2' ' A' ' 89' ' ' ARG . 31.3 t70 161.22 -34.86 0.0 OUTLIER 'General case' 0 CA--C 1.514 -0.424 0 C-N-CA 125.029 1.331 . . . . 71.03 107.74 178.337 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 1.8 m -76.01 -42.21 48.71 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 114.585 -1.188 . . . . 62.34 110.388 178.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 148.68 -1.74 0.62 Allowed Glycine 0 N--CA 1.447 -0.599 0 C-N-CA 120.197 -1.002 . . . . 75.11 113.131 179.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.9 m -88.56 125.1 34.63 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.566 -0.531 . . . . 55.14 109.566 177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 61' ' ' LEU . 24.2 pttm -69.36 123.74 22.03 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.361 0.6 . . . . 74.5 110.218 179.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 25.5 m -109.23 15.79 7.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.808 -0.633 . . . . 71.05 110.593 -177.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.519 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -80.25 77.77 6.97 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.605 -0.725 . . . . 75.22 111.133 -179.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.6 -30.42 45.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 115.879 -0.6 . . . . 74.41 109.519 174.28 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 54.02 72.75 0.43 Allowed 'General case' 0 CA--C 1.529 0.149 0 CA-C-N 114.984 -1.007 . . . . 55.3 111.465 176.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 30.2 t -133.67 1.6 3.38 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-O 121.879 0.847 . . . . 52.41 108.786 171.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -116.78 23.54 11.89 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 114.745 -1.116 . . . . 61.35 109.829 -173.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.488 ' HA ' HG12 ' A' ' 39' ' ' VAL . 7.0 p-10 -54.26 -43.53 71.05 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.476 -0.784 . . . . 71.44 111.993 -175.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -106.13 26.83 9.27 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.084 -0.507 . . . . 54.35 110.834 -177.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 10.9 mtm180 -130.34 154.66 81.54 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.153 -0.476 . . . . 62.41 110.501 -179.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.441 ' HB3' ' HA ' ' A' ' 36' ' ' GLN . 37.4 Cg_endo -67.56 129.53 20.25 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.5 2.134 . . . . 70.12 112.093 177.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.538 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 56.6 tp -63.86 -32.15 73.57 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.139 -0.482 . . . . 64.15 111.166 -178.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -67.2 -18.65 69.46 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 116.205 -0.452 . . . . 64.4 112.783 -177.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 80.6 t80 -76.63 -26.21 54.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.104 0.478 . . . . 74.22 110.279 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -75.21 -26.71 59.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.968 -0.56 . . . . 64.34 110.748 -178.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.4 t 64.19 71.0 0.62 Allowed Pre-proline 0 CA--C 1.532 0.28 0 CA-C-O 121.343 0.592 . . . . 64.31 109.843 -174.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.538 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 66.0 Cg_endo -98.18 -172.11 0.15 Allowed 'Trans proline' 0 N--CA 1.453 -0.876 0 C-N-CA 123.435 2.757 . . . . 74.45 113.345 -176.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -89.18 130.56 35.59 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.522 -0.763 . . . . 74.31 109.829 177.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -83.9 91.64 7.62 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.239 0.542 . . . . 72.54 110.783 -179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 142.01 50.42 0.04 OUTLIER Glycine 0 N--CA 1.446 -0.681 0 C-N-CA 120.66 -0.781 . . . . 73.23 112.762 177.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -77.05 167.48 21.73 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-O 120.751 0.31 . . . . 73.41 110.746 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.744 ' HG2' ' HA ' ' A' ' 64' ' ' ASP . 13.4 mmt180 -111.62 110.78 21.36 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.208 -0.451 . . . . 63.04 111.07 -178.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.467 ' HB2' ' HA ' ' A' ' 19' ' ' ILE . 94.2 mt -90.23 86.87 6.63 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 109.918 -0.401 . . . . 72.32 109.918 174.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.665 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 11.3 t-80 -81.18 104.94 12.0 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.993 0.425 . . . . 55.51 110.444 -177.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.412 HG12 ' CD2' ' A' ' 59' ' ' LEU . 59.7 mt -88.07 112.5 23.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.601 -0.727 . . . . 42.31 110.147 179.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.542 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 49.0 mm -71.28 126.42 31.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 109.546 -0.538 . . . . 64.54 109.546 176.036 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -82.1 93.04 6.94 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.075 0.464 . . . . 53.32 111.099 179.589 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.43 ' H ' HD23 ' A' ' 95' ' ' LEU . 2.5 pt? -135.06 13.22 3.59 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.66 -0.7 . . . . 64.03 110.073 176.737 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.471 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 31.4 t70 -83.31 115.67 60.38 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 115.937 -0.574 . . . . 72.5 110.693 -178.242 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.471 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 8.0 Cg_exo . . . . . 0 C--O 1.251 1.155 0 C-N-CA 123.415 2.743 . . . . 72.55 112.408 -178.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.2 mtt . . . . . 0 N--CA 1.48 1.065 0 CA-C-O 120.713 0.292 . . . . 61.43 110.309 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 151.55 84.3 0.05 OUTLIER Glycine 0 N--CA 1.444 -0.776 0 C-N-CA 120.833 -0.699 . . . . 74.15 112.157 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 3.1 p-80 -80.72 117.39 21.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.114 0.483 . . . . 75.21 110.162 177.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.8 m80 -116.08 100.11 7.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.074 -0.512 . . . . 75.21 110.119 -176.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.8 p80 -87.67 100.93 13.18 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.046 -0.661 . . . . 63.04 110.411 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -158.45 41.38 0.26 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.677 0.751 . . . . 63.55 110.316 173.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -122.42 34.26 5.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.277 -0.874 . . . . 72.11 108.713 171.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 39.4 t60 -162.57 86.96 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.753 -1.112 . . . . 70.31 109.067 -174.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -177.48 155.99 1.14 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.191 -0.459 . . . . 64.53 110.127 -178.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 77.5 m-70 -110.44 11.68 23.13 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.136 0.493 . . . . 73.01 109.827 172.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.25 122.84 3.37 Favored Glycine 0 N--CA 1.445 -0.712 0 C-N-CA 120.717 -0.754 . . . . 64.23 111.592 -177.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -134.92 -169.12 2.29 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.701 -0.852 . . . . 72.53 108.701 -179.047 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -64.46 138.44 58.42 Favored 'General case' 0 CA--C 1.514 -0.424 0 N-CA-C 109.248 -0.649 . . . . 55.31 109.248 177.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.5 m -140.71 140.02 34.81 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 120.72 0.295 . . . . 75.4 110.635 -177.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.5 m -92.76 113.9 28.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.363 0.601 . . . . 63.02 109.408 173.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -84.63 90.39 7.68 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.787 -0.642 . . . . 55.23 110.075 -176.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 76.5 mt -80.49 126.58 31.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.696 -0.684 . . . . 75.32 110.412 -177.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -99.01 101.38 12.75 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.81 0.338 . . . . 73.21 110.736 176.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.433 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 73.7 mt -75.18 121.2 26.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.922 -0.581 . . . . 71.0 110.042 178.038 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.9 m -120.89 106.69 11.88 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.81 -0.632 . . . . 73.52 109.728 178.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.414 ' HB3' ' O ' ' A' ' 24' ' ' LEU . 5.3 t-160 -88.57 139.01 30.91 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.265 -0.425 . . . . 71.42 110.185 -175.46 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -73.52 -71.08 0.34 Allowed 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 112.32 0.489 . . . . 72.23 112.32 -176.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.467 ' H ' ' HB3' ' A' ' 94' ' ' ASP . 3.3 t-20 -55.39 -48.86 73.68 Favored 'General case' 0 N--CA 1.466 0.361 0 CA-C-O 120.758 0.313 . . . . 62.54 110.765 -177.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.414 ' O ' ' HB3' ' A' ' 21' ' ' HIS . 96.7 mt -90.24 92.61 9.0 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.535 -0.542 . . . . 71.35 109.535 173.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt -70.57 -32.76 70.27 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.929 -0.578 . . . . 54.24 111.486 -174.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.6 m -89.23 19.0 4.59 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.276 -0.42 . . . . 72.31 111.31 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 67.4 t80 -85.52 100.36 11.86 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.656 -0.498 . . . . 71.4 109.656 177.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 p -103.58 123.01 46.16 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.994 -0.548 . . . . 71.34 110.879 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.433 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -150.49 101.42 2.95 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.11 -0.495 . . . . 73.42 111.032 178.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -101.33 105.79 16.9 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.663 0.744 . . . . 74.35 109.799 174.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -104.54 137.07 42.94 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.599 -0.728 . . . . 44.43 110.887 -175.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.5 ptt180 -105.88 116.08 31.33 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.136 -0.484 . . . . 65.01 110.24 178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 81.7 m-85 -117.25 171.63 7.83 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.971 -0.559 . . . . 73.3 110.708 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 33.1 m -74.74 137.86 73.64 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 116.137 -0.483 . . . . 73.31 110.452 177.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -66.14 163.46 31.5 Favored 'Trans proline' 0 C--N 1.343 0.246 0 C-N-CA 122.516 2.144 . . . . 73.34 111.756 178.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.675 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 45.1 mt-30 66.79 24.42 9.87 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.877 -0.601 . . . . 74.21 110.62 -177.441 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 26.4 ttt -76.61 139.07 40.49 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.462 -0.79 . . . . 75.32 110.156 176.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 20.4 m -85.42 142.45 29.24 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.16 0.505 . . . . 71.44 110.76 -179.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.609 ' O ' HG12 ' A' ' 42' ' ' VAL . 38.9 t -71.04 -24.26 24.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 115.87 -0.605 . . . . 74.51 111.12 -176.34 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' O ' ' HB2' ' A' ' 43' ' ' LYS . 32.6 tt0 -62.07 -18.55 61.05 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.929 0.395 . . . . 73.34 110.975 -179.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.76 -37.91 89.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.819 0.342 . . . . 75.42 111.046 178.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.609 HG12 ' O ' ' A' ' 39' ' ' VAL . 8.0 p -80.01 -18.49 12.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 121.106 0.479 . . . . 74.43 110.255 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.58 ' O ' ' HB2' ' A' ' 47' ' ' TRP . 55.4 mmtt -64.85 -28.26 69.43 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 115.655 -0.702 . . . . 52.2 110.597 177.042 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -94.95 -33.18 12.86 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.172 -0.467 . . . . 54.34 110.497 175.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 1.037 ' HA ' ' HE3' ' A' ' 45' ' ' LYS . 0.1 OUTLIER -62.55 -38.56 90.52 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.115 -0.493 . . . . 74.32 111.351 -174.751 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.436 ' HB2' HG11 ' A' ' 54' ' ' VAL . 94.1 mt -96.19 0.87 51.74 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.132 0.492 . . . . 72.24 110.823 179.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.58 ' HB2' ' O ' ' A' ' 43' ' ' LYS . 5.7 t90 -79.91 3.81 18.72 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.959 -0.564 . . . . 72.05 110.511 -175.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 21.7 pttp -102.29 -1.7 30.55 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.037 -0.529 . . . . 50.44 110.534 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -99.78 -47.5 5.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.909 0.385 . . . . 75.14 110.238 177.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 7.9 p -136.47 120.27 17.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.059 -0.518 . . . . 54.22 110.859 -177.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -82.48 6.51 68.51 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 121.089 -0.576 . . . . 74.32 112.153 178.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.1 m -87.79 14.0 9.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.856 0.36 . . . . 73.43 110.316 179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 20.9 t 71.87 145.26 0.07 Allowed 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.537 -0.756 . . . . 65.04 110.252 -176.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG11 ' HB2' ' A' ' 46' ' ' LEU . 10.5 m -73.12 85.66 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.906 0.86 . . . . 71.42 110.894 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 54.2 t30 -127.92 -45.84 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.041 -0.981 . . . . 74.52 109.749 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.1 p -79.67 1.08 27.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.721 -0.672 . . . . 74.25 110.553 177.008 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.612 ' HA ' ' O ' ' A' ' 93' ' ' ILE . 43.0 ttp -141.19 39.88 1.77 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 108.396 -0.965 . . . . 70.2 108.396 177.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.13 165.71 23.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.094 -0.957 . . . . 52.24 111.845 -175.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.437 ' CD2' HG12 ' A' ' 92' ' ' ILE . 80.3 mt -104.38 111.18 23.72 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.641 -0.709 . . . . 73.32 111.097 -176.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.622 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 11.9 mm-40 -81.19 94.63 6.71 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.474 -0.565 . . . . 71.31 109.474 172.123 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.432 HD13 HD23 ' A' ' 90' ' ' LEU . 42.9 tp -83.4 108.98 16.93 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.182 -0.463 . . . . 72.44 110.34 -178.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.551 ' HE1' ' HE2' ' A' ' 68' ' ' LYS . 58.9 m-85 -105.16 84.95 2.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.744 -0.662 . . . . 73.12 110.605 179.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -84.78 164.61 18.4 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.127 -0.488 . . . . 71.34 110.461 178.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 30.3 t70 62.24 21.16 12.28 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 115.503 -0.771 . . . . 65.41 110.126 -177.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 19.4 m 78.06 -41.09 0.32 Allowed 'General case' 0 CA--C 1.535 0.403 0 CA-C-N 115.085 -0.961 . . . . 73.05 113.074 174.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -132.51 13.15 5.14 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 119.597 -1.287 . . . . 21.35 114.507 -173.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.2 m -119.75 138.0 53.6 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 117.756 0.778 . . . . 61.44 110.903 -179.839 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.551 ' HE2' ' HE1' ' A' ' 62' ' ' TYR . 15.5 ptpt -92.29 129.67 38.17 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.619 -0.512 . . . . 74.32 109.619 176.784 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.5 m -122.27 16.04 5.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 116.224 -0.444 . . . . 73.33 111.548 -174.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -79.18 60.39 3.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.189 0.519 . . . . 64.45 110.928 -179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 14.6 p -97.81 -14.12 7.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 115.694 -0.685 . . . . 70.14 110.269 178.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.9 mm? 59.09 71.62 0.57 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.368 -0.833 . . . . 72.34 111.813 178.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 16.0 p -133.5 18.24 3.96 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.163 -1.051 . . . . 64.41 108.163 173.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.586 ' HA ' ' CG ' ' A' ' 77' ' ' ARG . 0.0 OUTLIER -148.49 23.59 1.01 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 114.079 -1.419 . . . . 53.21 110.48 -165.252 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -60.52 -34.55 74.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.465 -0.789 . . . . 63.34 111.585 -175.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 25.6 m -126.09 21.71 7.39 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.005 0.431 . . . . 72.12 110.071 -178.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.586 ' CG ' ' HA ' ' A' ' 74' ' ' ASP . 26.8 mmm180 -88.51 134.4 34.34 Favored Pre-proline 0 C--N 1.327 -0.386 0 CA-C-N 115.888 -0.597 . . . . 72.43 110.709 -177.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -65.71 114.56 2.98 Favored 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.352 2.035 . . . . 51.25 111.684 177.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.675 ' H ' ' HA ' ' A' ' 36' ' ' GLN . 93.6 mt -61.2 -16.34 43.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.896 -0.593 . . . . 75.14 111.889 -178.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.533 ' H ' ' HG2' ' A' ' 36' ' ' GLN . . . -70.82 -34.16 66.1 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.895 -0.669 . . . . 64.01 111.994 178.112 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -71.93 -24.95 61.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.352 0.596 . . . . 73.02 110.232 -179.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -91.36 -2.56 57.31 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.576 -0.738 . . . . 63.3 110.186 178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.414 ' HA ' ' HD2' ' A' ' 84' ' ' PRO . 17.7 m 69.71 111.09 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.278 0 CA-C-N 115.573 -0.74 . . . . 54.03 110.09 -174.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 83' ' ' SER . 18.1 Cg_endo -58.97 139.99 93.31 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.874 2.383 . . . . 73.22 113.189 -174.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -101.48 142.61 32.6 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.863 -0.791 . . . . 55.13 108.863 175.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -89.55 10.0 24.57 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 112.402 0.519 . . . . 64.43 112.402 -172.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -163.55 67.81 0.22 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 119.813 -1.184 . . . . 31.15 113.513 -178.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.423 ' HB3' HD11 ' A' ' 61' ' ' LEU . 90.7 m-85 -65.64 133.96 52.24 Favored 'General case' 0 C--O 1.235 0.334 0 N-CA-C 109.684 -0.487 . . . . 64.54 109.684 175.805 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.434 ' HB2' ' O ' ' A' ' 62' ' ' TYR . 29.1 mmt180 -104.78 101.34 10.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.068 0.461 . . . . 74.24 111.416 -179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.432 HD23 HD13 ' A' ' 61' ' ' LEU . 88.9 mt -93.1 95.44 9.43 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.743 -0.662 . . . . 71.23 110.441 -179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.622 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 10.5 t-80 -90.2 100.55 13.36 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.781 -0.452 . . . . 71.13 109.781 177.654 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.437 HG12 ' CD2' ' A' ' 59' ' ' LEU . 52.4 mt -73.42 115.6 14.58 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.796 -0.638 . . . . 63.43 110.331 -178.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.612 ' O ' ' HA ' ' A' ' 57' ' ' MET . 46.8 mm -72.66 91.29 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.23 -0.656 . . . . 74.44 109.23 175.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.467 ' HB3' ' H ' ' A' ' 23' ' ' ASN . 7.3 t70 -95.42 83.78 3.89 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.716 -0.675 . . . . 51.1 109.979 -176.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 94.4 mt -119.02 -9.56 10.01 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.34 -0.845 . . . . 64.34 110.462 178.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.428 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 13.2 t70 -72.99 119.71 77.02 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 75.55 110.447 -177.361 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 22.8 Cg_exo . . . . . 0 C--O 1.251 1.157 0 C-N-CA 123.159 2.573 . . . . 75.33 112.54 -177.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.6 ptt? . . . . . 0 N--CA 1.484 1.259 0 N-CA-C 111.466 0.173 . . . . 71.2 111.466 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 144.43 -35.22 1.56 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.592 -0.814 . . . . 71.12 112.203 178.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 11.8 t60 -73.45 101.98 3.66 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.241 -0.651 . . . . 63.33 109.241 178.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.1 p-80 -73.3 138.56 45.51 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.377 0.608 . . . . 71.24 111.797 -171.585 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 74.3 m-70 -122.98 150.9 42.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.362 -0.836 . . . . 71.44 109.232 173.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 68.3 m-70 68.19 -173.89 0.19 Allowed 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 122.837 0.455 . . . . 45.4 111.161 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -172.18 157.43 4.23 Favored 'General case' 0 C--N 1.331 -0.212 0 N-CA-C 108.581 -0.896 . . . . 75.45 108.581 174.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.406 ' O ' ' HB2' ' A' ' 9' ' ' SER . 2.2 p-80 -127.22 -161.96 1.12 Allowed 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 111.736 0.273 . . . . 75.31 111.736 -174.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 8' ' ' HIS . 40.9 m 82.4 119.96 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.446 0 O-C-N 124.252 0.97 . . . . 64.25 111.933 179.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 74.09 18.79 3.11 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 115.045 -0.979 . . . . 71.33 112.3 173.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -86.82 73.92 2.41 Favored Glycine 0 N--CA 1.449 -0.484 0 N-CA-C 111.008 -0.837 . . . . 52.14 111.008 174.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -94.72 147.22 23.55 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.431 0.158 . . . . 72.23 110.773 -176.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.7 t70 63.54 31.92 14.47 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.597 0.713 . . . . 74.34 109.603 -178.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' A' ' 33' ' ' PHE . 68.2 p -72.46 129.07 37.47 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.283 -0.871 . . . . 42.13 111.375 -175.583 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.607 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 18.5 m -75.05 135.84 26.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.845 -0.616 . . . . 73.01 110.184 177.322 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.419 ' HE2' ' CG ' ' A' ' 30' ' ' ASP . 18.2 t-160 -94.22 106.74 18.72 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.953 -0.567 . . . . 71.05 110.403 -176.467 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.68 HD21 ' HD2' ' A' ' 85' ' ' PHE . 94.8 mt -107.66 157.87 17.72 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.833 -0.622 . . . . 74.42 110.68 -178.186 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.801 ' HB2' ' HG2' ' A' ' 89' ' ' ARG . 83.0 m-70 -125.71 100.66 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.138 -0.483 . . . . 73.11 109.866 177.28 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.598 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 61.5 mt -84.35 98.38 5.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.212 0.53 . . . . 71.32 109.889 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 20.8 p -88.22 121.27 30.43 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.5 -0.773 . . . . 72.35 111.539 -175.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -91.34 132.51 36.13 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.167 -0.679 . . . . 70.52 109.167 177.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -83.71 -37.89 22.12 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.659 0.244 . . . . 65.24 111.659 -175.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . 0.442 ' HB2' ' CG ' ' A' ' 94' ' ' ASP . 16.4 t-20 -56.47 -48.36 77.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.373 0.606 . . . . 70.02 109.779 178.341 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.7 mp -121.63 96.05 4.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.527 -0.761 . . . . 75.43 109.076 173.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -67.18 -20.67 65.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.105 0.478 . . . . 72.11 110.969 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 20.5 t -77.04 -4.92 46.68 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.064 -0.516 . . . . 71.14 110.209 176.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -104.98 91.79 3.96 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.221 0.534 . . . . 74.43 110.105 178.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.7 t -108.68 109.56 20.77 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.993 -0.743 . . . . 25.02 108.993 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.598 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -77.05 100.7 5.76 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.11 0.481 . . . . 63.23 110.234 -179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.419 ' CG ' ' HE2' ' A' ' 16' ' ' HIS . 11.6 t70 -70.99 110.74 5.87 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.423 -0.808 . . . . 61.44 109.763 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -117.03 155.24 29.55 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.266 0.555 . . . . 70.43 111.724 -172.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.607 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 18.3 ptt180 -148.32 120.26 8.19 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.333 -0.848 . . . . 62.23 109.81 177.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.401 ' O ' ' HA ' ' A' ' 14' ' ' SER . 94.0 m-85 -133.67 -170.67 2.54 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.048 -0.523 . . . . 62.44 110.928 -176.249 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 21.8 p -94.71 149.7 36.85 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.134 -0.485 . . . . 64.54 110.569 -179.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.463 ' HB3' ' HA3' ' A' ' 80' ' ' GLY . 30.3 Cg_exo -63.32 -15.92 51.27 Favored 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 122.756 2.304 . . . . 65.13 112.622 178.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -77.0 -14.46 59.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.51 110.697 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 25.1 ttt -67.08 125.98 27.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.115 0.483 . . . . 62.22 110.958 -178.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 64.1 p -107.15 168.12 9.43 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.689 -0.687 . . . . 60.35 109.988 176.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.921 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 51.1 t -70.1 -32.68 51.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.593 -0.521 . . . . 73.31 109.593 176.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.631 ' HA ' ' HE2' ' A' ' 43' ' ' LYS . 33.3 tt0 -56.17 -44.74 79.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.821 -0.627 . . . . 60.01 110.148 174.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.48 -46.9 87.47 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.478 -0.783 . . . . 60.44 111.957 -177.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.0 p -71.04 -39.89 75.21 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.287 0 C-N-CA 120.907 -0.317 . . . . 73.25 111.666 -176.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.631 ' HE2' ' HA ' ' A' ' 40' ' ' GLU . 47.5 mtmt -59.11 -45.66 90.31 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.33 0.586 . . . . 75.22 110.247 178.451 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -71.4 -35.95 71.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.335 -0.848 . . . . 75.25 110.951 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 40.0 tttp -67.64 -33.14 74.36 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.121 -0.49 . . . . 71.41 111.01 -177.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.823 ' HB3' ' HB ' ' A' ' 52' ' ' THR . 94.9 mt -77.68 -28.28 51.05 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.167 0.508 . . . . 52.23 110.224 177.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -70.07 -45.99 65.86 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.756 -0.656 . . . . 70.54 109.97 177.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 1.1 ptmp? -77.14 -7.46 55.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.924 -0.58 . . . . 72.2 110.6 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.683 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -77.3 -56.03 4.9 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.192 -0.458 . . . . 51.21 110.51 177.383 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 49.1 t -151.04 -59.78 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.314 -0.403 . . . . 64.33 110.365 -178.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 177.27 30.52 0.04 OUTLIER Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.222 -0.99 . . . . 65.23 112.555 178.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.823 ' HB ' ' HB3' ' A' ' 46' ' ' LEU . 24.4 m -91.11 84.47 5.71 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-O 121.474 0.654 . . . . 74.52 110.059 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.2 m -77.49 -9.64 59.02 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.298 -0.865 . . . . 51.21 111.143 -178.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 42.1 t 64.6 80.49 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 115.632 -0.713 . . . . 70.2 109.438 -174.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -108.13 -75.11 0.64 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.673 -0.694 . . . . 75.24 111.118 -175.014 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.6 t -97.6 7.0 47.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.235 0.54 . . . . 54.34 110.175 -178.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 61.0 ttp -84.16 94.55 8.4 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.841 -0.618 . . . . 61.12 109.831 179.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.551 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -74.74 128.72 36.24 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.91 -0.586 . . . . 72.25 110.693 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 87.0 mt -114.88 104.64 12.13 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.104 -0.498 . . . . 55.24 110.437 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.835 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 50.4 mt-10 -79.49 128.18 33.04 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.361 -0.382 . . . . 62.13 110.13 176.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 37.6 tp -91.36 101.51 14.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.304 -0.407 . . . . 74.34 110.281 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.577 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 56.3 m-85 -99.63 138.57 36.53 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.038 -0.528 . . . . 74.35 110.302 177.036 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -88.31 48.88 1.7 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.591 0.71 . . . . 53.12 109.475 175.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 38.5 t70 69.92 65.56 0.23 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 114.551 -1.204 . . . . 75.23 111.147 -176.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 66.5 m 56.75 21.75 6.26 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.073 -0.967 . . . . 51.31 113.376 173.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -91.82 -65.4 1.14 Allowed Glycine 0 N--CA 1.446 -0.671 0 C-N-CA 120.321 -0.942 . . . . 44.21 111.571 177.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.2 p -141.65 173.72 11.24 Favored 'General case' 0 C--N 1.317 -0.841 0 N-CA-C 109.616 -0.513 . . . . 74.13 109.616 179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.455 ' HE2' ' OH ' ' A' ' 62' ' ' TYR . 73.2 mttt -96.28 90.58 5.51 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.778 -0.453 . . . . 73.31 109.778 174.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.3 m -84.89 41.85 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 121.589 0.709 . . . . 70.42 110.526 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -78.0 80.3 4.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.393 -0.821 . . . . 15.32 111.569 -175.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.4 p -145.99 104.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.409 -0.814 . . . . 52.21 109.099 171.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.41 HD21 HG21 ' A' ' 39' ' ' VAL . 57.8 tp -119.48 96.82 5.36 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 115.608 -0.724 . . . . 65.3 110.905 -174.103 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.5 m -89.85 -50.31 6.12 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.997 -0.547 . . . . 71.12 110.713 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -102.24 100.72 10.94 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.118 -0.492 . . . . 72.53 110.115 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.921 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 11.0 p-10 -111.31 -16.3 13.41 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.012 0.434 . . . . 72.53 110.448 -179.77 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.406 ' HA ' ' HB2' ' A' ' 40' ' ' GLU . 35.2 t -83.27 -18.43 39.13 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.549 0.69 . . . . 75.22 109.676 175.101 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 38.0 mmm-85 -88.76 143.98 32.55 Favored Pre-proline 0 C--N 1.326 -0.445 0 CA-C-N 115.243 -0.889 . . . . 73.41 109.757 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_exo -62.97 115.61 3.05 Favored 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.405 2.07 . . . . 75.13 111.372 174.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -59.06 -36.0 74.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.253 -0.431 . . . . 72.32 111.328 -177.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.463 ' HA3' ' HB3' ' A' ' 35' ' ' PRO . . . -67.44 -17.29 68.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 121.148 -0.549 . . . . 71.33 113.12 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 92.6 t80 -70.16 -31.93 69.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.142 0.496 . . . . 72.3 110.077 178.361 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -91.39 -52.57 4.73 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.732 -0.667 . . . . 74.02 109.772 178.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 68.3 m -155.29 129.17 4.61 Favored Pre-proline 0 C--N 1.324 -0.512 0 CA-C-N 115.782 -0.645 . . . . 54.23 110.072 178.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -55.82 112.89 1.2 Allowed 'Trans proline' 0 C--O 1.233 0.232 0 C-N-CA 122.233 1.955 . . . . 75.5 111.215 175.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.68 ' HD2' HD21 ' A' ' 17' ' ' LEU . 0.6 OUTLIER -74.44 90.82 2.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.906 0.86 . . . . 72.13 110.896 -177.816 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -107.9 129.05 55.12 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.571 -1.195 . . . . 73.41 110.67 -176.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.66 -6.34 65.85 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 121.045 -0.597 . . . . 63.11 113.436 173.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -61.08 132.51 54.01 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.455 0.645 . . . . 71.54 111.085 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.801 ' HG2' ' HB2' ' A' ' 18' ' ' HIS . 73.5 mtt180 -108.19 118.61 37.21 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.205 -0.907 . . . . 72.43 110.505 -178.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 92.9 mt -85.54 102.44 13.52 Favored 'General case' 0 C--N 1.319 -0.759 0 N-CA-C 109.064 -0.717 . . . . 74.14 109.064 174.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.835 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 9.3 t-80 -88.39 102.72 15.15 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 120.908 0.385 . . . . 74.01 110.312 -177.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 62.7 mt -77.49 111.23 14.06 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.52 -0.764 . . . . 62.31 110.299 179.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.551 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 45.8 mm -74.78 106.2 4.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.064 0.459 . . . . 73.2 110.119 177.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.442 ' CG ' ' HB2' ' A' ' 23' ' ' ASN . 15.1 m-20 -85.18 88.16 7.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.992 -0.549 . . . . 73.4 110.897 -177.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 1.8 pp -96.93 4.49 51.56 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.466 -0.788 . . . . 74.23 109.256 171.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.432 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 19.9 t70 -100.84 119.69 57.62 Favored Pre-proline 0 C--N 1.327 -0.395 0 CA-C-N 114.555 -1.202 . . . . 55.04 109.95 -179.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 15.0 Cg_exo . . . . . 0 C--O 1.249 1.031 0 C-N-CA 122.776 2.317 . . . . 54.42 111.942 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.481 1.108 0 N-CA-C 109.513 -0.551 . . . . 63.13 109.513 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -124.98 42.48 1.52 Allowed Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.446 -0.883 . . . . 53.45 112.959 -174.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -70.44 114.71 8.82 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.52 -0.548 . . . . 64.15 109.52 175.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -130.71 145.5 51.95 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.933 -0.395 . . . . 63.02 109.933 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.0 p-80 -131.39 123.7 28.75 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.194 0.521 . . . . 72.1 111.3 -177.086 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 14.0 m170 -111.58 141.6 44.95 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.991 -0.549 . . . . 75.03 110.053 175.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 76.5 m-70 -91.98 88.34 6.54 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.29 -0.414 . . . . 64.01 110.411 178.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.7 t-160 -84.3 99.05 10.34 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.074 -1.084 . . . . 75.4 108.074 173.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -59.18 109.65 0.9 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.355 -0.839 . . . . 74.31 112.624 -169.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -168.35 162.66 12.62 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 114.701 -1.136 . . . . 62.43 108.994 174.211 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -78.31 -171.24 38.17 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.591 -0.814 . . . . 60.54 112.281 179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -78.23 82.88 4.52 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.383 0.611 . . . . 72.42 110.254 179.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -130.01 93.41 3.49 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.322 -0.853 . . . . 71.53 109.166 176.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.689 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 68.4 m -159.69 145.33 15.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.669 -0.696 . . . . 52.35 110.42 -178.592 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.592 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 26.3 m -92.3 135.66 26.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 116.379 -0.373 . . . . 72.33 110.513 179.64 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -78.01 83.64 4.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.973 0.416 . . . . 63.32 111.413 -174.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.555 HD12 ' HD2' ' A' ' 33' ' ' PHE . 93.4 mt -81.53 107.67 14.48 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 116.116 -0.493 . . . . 64.25 109.856 175.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.6 m-70 -91.32 113.51 25.79 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.32 -0.4 . . . . 74.43 110.828 -179.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.441 HD13 HD12 ' A' ' 90' ' ' LEU . 39.9 mm -74.62 113.4 13.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.596 -0.729 . . . . 52.03 109.739 179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.6 m -118.92 113.73 21.49 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 120.864 0.364 . . . . 52.13 110.765 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.462 ' HD1' ' CG ' ' A' ' 94' ' ' ASP . 3.0 m-70 -84.08 162.32 20.35 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.196 -0.457 . . . . 73.13 110.338 176.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -96.38 -36.54 10.81 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.95 0.405 . . . . 44.21 110.092 178.058 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -71.83 -50.25 31.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.791 -0.64 . . . . 72.41 110.084 179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.421 ' N ' HD12 ' A' ' 24' ' ' LEU . 5.7 mp -81.08 107.03 13.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.669 -0.696 . . . . 72.41 109.841 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.4 pttt -68.8 -33.61 74.14 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.289 -0.414 . . . . 72.15 111.522 -176.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 14.0 t -112.62 88.66 2.87 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.061 0.457 . . . . 75.4 109.896 179.322 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -134.63 87.05 2.31 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.099 -0.5 . . . . 74.2 109.989 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 31.3 m -93.21 99.25 11.85 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.739 -0.664 . . . . 63.51 110.112 179.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.92 106.0 7.05 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.147 -0.479 . . . . 73.23 111.16 -176.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -87.83 116.18 25.8 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.83 -0.623 . . . . 71.44 109.419 174.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -120.6 78.65 1.39 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.491 -0.559 . . . . 71.1 109.491 176.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.592 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 22.0 ptt-85 -81.97 108.6 15.6 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.477 0.656 . . . . 71.11 110.805 -177.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.555 ' HD2' HD12 ' A' ' 17' ' ' LEU . 96.7 m-85 -97.4 155.84 16.73 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.275 -0.875 . . . . 75.41 109.963 177.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.448 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 15.9 m -62.46 131.84 94.08 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.048 -0.524 . . . . 61.02 110.417 178.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.689 ' HD3' ' HA ' ' A' ' 14' ' ' SER . 1.5 Cg_endo -76.87 63.68 7.55 Favored 'Trans proline' 0 N--CA 1.456 -0.722 0 C-N-CA 122.633 2.222 . . . . 34.33 111.802 -176.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.615 ' HA ' ' H ' ' A' ' 80' ' ' GLY . 7.4 tt0 -160.49 18.58 0.14 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.676 -0.693 . . . . 74.25 109.306 173.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 27.4 ttt -101.14 146.83 26.97 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.205 -0.907 . . . . 70.55 109.473 -176.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.7 m -87.33 147.48 25.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.779 0.323 . . . . 73.31 110.737 178.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.437 HG12 ' HE3' ' A' ' 43' ' ' LYS . 22.8 t -64.74 -35.59 75.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.104 -0.498 . . . . 72.34 110.959 -176.233 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -58.8 -28.71 66.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 71.33 111.463 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.55 -44.65 86.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.22 -0.446 . . . . 53.43 111.409 -176.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 39' ' ' VAL . 13.9 p -72.33 -30.41 35.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.99 0.424 . . . . 73.04 109.988 179.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HE3' HG12 ' A' ' 39' ' ' VAL . 97.0 mttt -65.11 -32.81 74.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.986 -0.552 . . . . 74.32 110.814 176.419 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.747 ' HG2' ' HE2' ' A' ' 48' ' ' LYS . 36.7 tt0 -58.65 -43.51 89.83 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.856 -0.611 . . . . 73.2 111.305 -176.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -74.87 -31.29 61.58 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.71 0.29 . . . . 75.33 110.683 -178.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 95.3 mt -71.7 -35.14 70.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.132 0.491 . . . . 72.13 110.074 177.256 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 20.6 t90 -68.94 -48.82 62.28 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.608 -0.724 . . . . 73.43 110.461 176.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.747 ' HE2' ' HG2' ' A' ' 44' ' ' GLU . 57.4 mtmt -77.07 2.58 14.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.504 -0.316 . . . . 74.34 111.344 -179.362 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 56.7 tptt -73.4 -57.41 4.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.961 0.41 . . . . 70.43 110.462 176.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 9.5 p -109.08 -7.76 15.28 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.253 -0.43 . . . . 72.54 111.038 -178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 78.85 26.91 57.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.778 -0.725 . . . . 44.14 111.378 -177.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.0 m -130.81 139.94 50.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.853 -0.425 . . . . 62.25 109.853 -177.487 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 15.9 m -63.96 137.11 57.86 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 110.263 -0.273 . . . . 72.1 110.263 177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 22.6 t -72.51 86.98 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.206 0.527 . . . . 72.33 110.414 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -127.74 -51.18 1.36 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.741 -0.663 . . . . 54.14 110.549 179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.491 ' HB3' ' HG ' ' A' ' 95' ' ' LEU . 12.2 m -59.42 -49.59 77.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.251 -0.432 . . . . 64.13 110.813 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 52.5 ttm -77.84 100.13 6.21 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.532 -0.544 . . . . 64.54 109.532 176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.23 116.59 17.07 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.027 -0.533 . . . . 73.3 111.335 -177.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 78.1 mt -94.33 92.73 7.33 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.828 -0.623 . . . . 74.14 109.486 176.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.546 ' HB2' ' HB3' ' A' ' 91' ' ' HIS . 45.7 mt-10 -82.51 132.51 35.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.325 -0.398 . . . . 65.41 111.096 -176.669 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.5 tp -95.27 111.02 22.94 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.32 -0.622 . . . . 74.2 109.32 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.582 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 8.1 m-30 -103.99 127.52 51.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.781 0.324 . . . . 74.11 111.066 -179.452 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.854 ' HB3' ' HB2' ' A' ' 67' ' ' SER . 11.6 t70 -83.94 103.83 13.52 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.26 -1.015 . . . . 74.35 108.26 169.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 89' ' ' ARG . 28.4 t70 71.97 -64.47 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 O-C-N 124.222 0.952 . . . . 62.11 110.427 -175.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 8.3 m -179.63 -46.26 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.532 0.733 . . . . 71.1 111.225 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -80.63 -19.47 68.28 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.902 -0.666 . . . . 55.5 114.011 -172.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.854 ' HB2' ' HB3' ' A' ' 63' ' ' ASP . 17.8 m -104.59 106.61 17.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 117.075 0.437 . . . . 75.13 111.379 -177.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -80.36 88.42 5.57 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.069 -0.715 . . . . 61.01 109.069 175.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 13.7 m -85.77 100.28 8.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.877 0.846 . . . . 75.32 111.456 -174.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -98.22 97.33 8.75 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.301 -0.863 . . . . 62.24 110.567 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 3.7 p -139.05 118.02 13.3 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.608 -0.724 . . . . 73.14 109.939 178.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 17.1 tp -124.31 14.05 8.93 Favored 'General case' 0 C--N 1.324 -0.532 0 C-N-CA 120.8 -0.36 . . . . 74.31 111.257 -176.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 27.0 m -70.09 -17.51 63.22 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.035 0.445 . . . . 73.54 111.158 179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.489 ' HA ' ' HG3' ' A' ' 77' ' ' ARG . 5.2 m-20 -108.68 20.4 18.56 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.159 -0.473 . . . . 55.55 111.148 -177.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -63.71 -43.62 96.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.039 0.447 . . . . 54.51 110.489 178.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 2.5 m -85.32 18.82 2.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.623 -0.717 . . . . 64.44 110.772 -179.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.539 ' HE ' ' HA ' ' A' ' 77' ' ' ARG . 0.9 OUTLIER -119.38 151.52 51.43 Favored Pre-proline 0 C--N 1.322 -0.626 0 CA-C-O 120.685 0.278 . . . . 73.3 111.229 -173.302 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_endo -69.04 129.06 17.66 Favored 'Trans proline' 0 N--CA 1.459 -0.543 0 C-N-CA 122.02 1.814 . . . . 71.22 110.481 169.347 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.683 ' HG ' ' HG3' ' A' ' 84' ' ' PRO . 20.8 tp -56.49 -26.51 54.48 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 111.968 0.359 . . . . 74.33 111.968 -175.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.615 ' H ' ' HA ' ' A' ' 36' ' ' GLN . . . -69.58 -29.16 71.57 Favored Glycine 0 C--N 1.33 0.246 0 C-N-CA 120.826 -0.702 . . . . 73.11 112.459 179.353 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -72.9 -35.01 67.0 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.631 -0.507 . . . . 74.12 109.631 179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -72.7 -34.77 67.37 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.642 -0.708 . . . . 71.45 110.966 178.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 30.1 t 65.3 94.15 0.05 OUTLIER Pre-proline 0 C--N 1.332 -0.157 0 CA-C-N 115.905 -0.589 . . . . 74.22 109.942 -175.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.683 ' HG3' ' HG ' ' A' ' 79' ' ' LEU . 61.4 Cg_endo -90.58 -163.81 0.14 Allowed 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 123.064 2.509 . . . . 73.33 112.516 -177.038 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 90.5 m-85 -103.07 -172.01 2.04 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.626 -0.509 . . . . 72.21 109.626 177.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -54.55 -42.65 71.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.104 0.478 . . . . 72.14 110.683 176.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -165.02 176.19 40.81 Favored Glycine 0 N--CA 1.443 -0.879 0 CA-C-N 115.694 -0.685 . . . . 65.22 112.0 179.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -135.32 155.55 50.43 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.802 0.334 . . . . 74.04 110.305 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.582 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 17.0 mmt180 -100.48 106.34 17.88 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.893 -0.594 . . . . 74.1 110.106 178.085 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.441 HD12 HD13 ' A' ' 19' ' ' ILE . 97.8 mt -90.2 97.96 11.49 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.99 -0.55 . . . . 72.31 110.132 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 60' ' ' GLU . 27.2 t-80 -88.0 97.15 10.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.828 -0.624 . . . . 72.51 109.544 -179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 64.7 mt -82.12 113.8 21.99 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-N 115.675 -0.693 . . . . 75.03 110.789 -177.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.1 mm -74.94 104.4 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 N-CA-C 109.377 -0.601 . . . . 72.21 109.377 174.402 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.462 ' CG ' ' HD1' ' A' ' 21' ' ' HIS . 2.5 m-20 -66.93 113.1 4.69 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.012 -0.54 . . . . 74.4 111.413 -178.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.496 ' O ' ' HD3' ' A' ' 97' ' ' PRO . 0.2 OUTLIER -84.79 9.94 12.78 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.706 -0.85 . . . . 73.43 108.706 174.309 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -105.89 91.12 4.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 114.934 -1.03 . . . . 70.22 108.66 174.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.496 ' HD3' ' O ' ' A' ' 95' ' ' LEU . 2.6 Cg_endo . . . . . 0 C--O 1.252 1.19 0 C-N-CA 123.428 2.752 . . . . 70.44 112.377 -173.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.7 mtt . . . . . 0 N--CA 1.481 1.093 0 CA-C-O 120.801 0.334 . . . . 65.44 110.209 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 91.27 -161.9 27.97 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.831 -0.7 . . . . 73.22 111.397 -177.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 18.1 t-80 -139.08 126.18 21.22 Favored 'General case' 0 C--N 1.319 -0.743 0 O-C-N 122.617 -0.343 . . . . 72.01 110.543 179.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 73.5 m80 -72.62 110.52 7.04 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.102 -0.499 . . . . 73.31 110.008 177.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 54.3 t-80 -68.4 125.14 25.51 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.827 -0.435 . . . . 44.03 109.827 177.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.2 p-80 -158.62 -170.78 3.19 Favored 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.319 -0.623 . . . . 62.24 109.319 177.651 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -81.66 118.22 22.64 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.103 0.478 . . . . 72.01 111.093 -177.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 32.9 t-80 -72.75 -42.45 64.04 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.428 -0.806 . . . . 74.15 109.885 177.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.1 p -165.14 132.06 2.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.719 -0.673 . . . . 74.4 111.064 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.23 -82.87 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.569 -0.53 . . . . 63.13 109.569 174.386 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 46.79 68.01 1.25 Allowed Glycine 0 C--N 1.337 0.603 0 O-C-N 123.564 0.54 . . . . 73.23 113.194 178.316 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -73.18 77.74 1.28 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.594 0.197 . . . . 71.01 111.014 -176.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 47.48 79.56 0.06 Allowed 'General case' 0 N--CA 1.467 0.409 0 O-C-N 123.875 0.734 . . . . 63.3 111.229 -177.01 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.9 p -66.31 98.63 0.48 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.581 -0.736 . . . . 73.32 111.712 -174.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 30.4 m -75.58 137.94 21.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 N-CA-C 109.333 -0.617 . . . . 64.52 109.333 172.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 22.8 m170 -98.12 96.91 8.44 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.09 0.471 . . . . 71.24 111.089 -176.614 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 85.5 mt -94.42 112.76 24.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.54 -0.754 . . . . 74.05 109.305 177.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 50.9 m-70 -86.04 117.54 24.95 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.124 0.488 . . . . 71.41 110.255 -177.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 37.2 mm -94.6 129.2 45.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.458 -0.792 . . . . 73.11 110.39 -176.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 25.3 m -130.52 124.05 31.02 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.313 -0.403 . . . . 50.11 110.223 177.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.13 138.41 34.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.29 -0.414 . . . . 73.55 110.522 -178.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -65.63 -22.48 66.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.276 -0.42 . . . . 62.51 111.439 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.4 t-20 -77.99 -26.44 48.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 53.23 111.186 -178.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.3 mt -133.71 106.48 7.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.557 -0.292 . . . . 74.22 110.866 -173.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -73.98 -13.27 60.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.29 -0.414 . . . . 54.13 111.027 -179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 46.6 t -87.82 -7.48 57.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.023 0.44 . . . . 72.53 110.205 175.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -84.59 93.2 8.32 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.106 0.479 . . . . 65.41 111.014 -174.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 20.4 m -123.06 89.34 3.09 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 108.971 -0.751 . . . . 63.12 108.971 172.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.23 146.42 26.9 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.748 -0.66 . . . . 63.13 111.089 -174.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -102.8 117.34 34.41 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.077 -0.511 . . . . 64.32 109.999 178.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -114.16 132.65 56.01 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.224 -0.443 . . . . 45.33 110.356 178.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.518 ' HA ' ' O ' ' A' ' 15' ' ' VAL . 18.3 ptt180 -112.63 147.3 37.0 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.887 0.375 . . . . 72.43 111.017 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.446 ' O ' HG22 ' A' ' 15' ' ' VAL . 15.4 t80 -160.75 -179.41 7.57 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.983 -0.747 . . . . 74.14 108.983 176.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.446 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 22.7 p -85.57 139.91 35.82 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-O 120.525 0.202 . . . . 62.11 110.818 179.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.446 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 16.6 Cg_exo -67.52 -17.51 48.62 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 123.306 2.671 . . . . 43.52 112.84 -176.344 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -82.36 17.4 1.72 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.013 0.435 . . . . 73.54 110.914 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 23.4 ttt -74.93 143.86 43.53 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.95 -0.568 . . . . 73.33 110.688 178.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 28.1 m -118.89 149.04 42.24 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.056 -0.52 . . . . 60.41 110.001 176.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.737 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 35.1 t -66.13 -31.4 53.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.378 -0.374 . . . . 65.13 110.355 -179.276 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.56 ' O ' ' HG3' ' A' ' 44' ' ' GLU . 36.1 tt0 -54.34 -45.69 72.75 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.056 0.455 . . . . 64.52 110.004 174.246 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.03 -43.5 95.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.368 -0.833 . . . . 74.03 111.806 -175.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.428 HG12 ' O ' ' A' ' 39' ' ' VAL . 12.4 p -71.75 -31.81 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.168 0 C-N-CA 120.715 -0.394 . . . . 53.31 110.867 -177.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' NZ ' ' HB3' ' A' ' 43' ' ' LYS . 9.1 mtpm? -70.27 -41.5 73.35 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.165 -0.309 . . . . 74.22 110.165 177.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 40' ' ' GLU . 56.8 mt-10 -59.76 -41.32 90.77 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-O 121.307 0.575 . . . . 74.14 109.581 174.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 46.9 tttp -62.83 -50.97 68.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.071 -0.968 . . . . 71.05 110.518 -179.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 92.2 mt -63.86 -40.76 97.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.34 -0.391 . . . . 72.0 111.153 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . 0.725 ' HD1' HG23 ' A' ' 52' ' ' THR . 14.9 t90 -56.78 -46.13 81.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.129 -0.487 . . . . 75.03 111.231 179.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -78.29 -29.83 48.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.506 -0.316 . . . . 63.45 111.268 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.3 tptt -75.94 -73.12 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.586 -0.279 . . . . 71.54 111.312 -178.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 80.2 m -152.62 -58.12 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 64.13 110.968 -174.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -73.72 81.44 0.75 Allowed Glycine 0 C--N 1.331 0.297 0 CA-C-N 115.949 -0.569 . . . . 43.43 113.261 -175.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.725 HG23 ' HD1' ' A' ' 47' ' ' TRP . 26.1 m -71.75 -41.84 67.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.143 0.497 . . . . 64.45 109.811 176.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.6 p -123.39 108.65 12.95 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.697 -0.683 . . . . 64.23 110.634 177.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 6.5 m -81.03 97.09 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.501 0.667 . . . . 71.34 110.795 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -108.36 -58.31 2.01 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.466 -0.788 . . . . 73.21 110.838 -176.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.53 ' CB ' ' HB2' ' A' ' 96' ' ' ASP . 14.4 m -88.22 5.72 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.002 -0.544 . . . . 61.3 111.527 -172.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 57.6 ttp -133.15 103.86 6.22 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.001 -0.545 . . . . 73.12 109.78 179.042 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.583 ' HB3' ' HB ' ' A' ' 93' ' ' ILE . . . -99.24 131.89 44.95 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.024 -0.535 . . . . 73.54 110.742 -179.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 77.4 mt -95.62 95.95 8.7 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.998 -0.546 . . . . 74.21 110.265 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -91.34 114.84 27.48 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.274 -0.421 . . . . 72.34 110.43 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.581 ' HB3' ' HB2' ' A' ' 70' ' ' ALA . 68.3 tp -100.01 111.72 24.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.15 -0.477 . . . . 73.43 110.643 -178.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.598 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 0.7 OUTLIER -96.51 152.69 18.38 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.02 -0.537 . . . . 74.11 109.713 177.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -97.97 -179.88 4.56 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.162 -0.681 . . . . 74.24 109.162 173.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -68.07 -26.97 66.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 65.21 111.613 -176.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 3.7 m -71.79 -36.67 70.4 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.437 -0.347 . . . . 72.53 110.357 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 118.65 25.25 2.91 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.792 -0.718 . . . . 64.33 112.296 179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -114.17 150.68 33.84 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.277 -0.268 . . . . 64.53 110.277 178.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.2 118.11 22.84 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.406 0.622 . . . . 73.05 110.469 176.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.6 m -110.09 9.9 8.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.672 -0.695 . . . . 71.12 110.85 -177.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.581 ' HB2' ' HB3' ' A' ' 61' ' ' LEU . . . -73.45 103.01 3.95 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.707 -0.679 . . . . 63.54 111.246 -178.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -138.93 118.86 14.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.08 -0.509 . . . . 75.03 110.306 176.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -83.85 75.36 10.11 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.094 0.473 . . . . 62.34 110.858 -176.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 36.6 m -118.2 -44.71 2.67 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.853 -0.612 . . . . 72.13 109.658 175.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.428 ' HB3' ' CG ' ' A' ' 77' ' ' ARG . 5.0 m-20 -115.24 83.34 1.9 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.944 -0.571 . . . . 65.53 109.587 173.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.737 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 3.8 p30 -96.79 -17.28 20.35 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.734 -0.666 . . . . 62.22 110.848 -176.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 15.0 m -97.66 19.85 12.87 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.14 -0.482 . . . . 71.23 110.835 -174.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' CG ' ' HB3' ' A' ' 74' ' ' ASP . 15.6 mmm-85 -114.09 152.79 46.13 Favored Pre-proline 0 C--N 1.329 -0.299 0 N-CA-C 109.703 -0.48 . . . . 72.42 109.703 -178.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -72.37 101.47 1.26 Allowed 'Trans proline' 0 N--CA 1.462 -0.349 0 C-N-CA 122.113 1.875 . . . . 63.54 111.03 171.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.0 mt -63.72 -31.82 73.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.355 -0.384 . . . . 72.1 111.594 -175.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -77.92 10.97 23.25 Favored Glycine 0 CA--C 1.517 0.192 0 C-N-CA 121.007 -0.616 . . . . 45.15 112.883 -178.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 72.3 t80 -91.9 -22.21 20.18 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.574 -0.528 . . . . 73.0 109.574 175.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 72.0 t80 -71.72 -50.59 28.86 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.091 -0.707 . . . . 73.02 109.091 176.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 33.0 p -154.61 152.27 25.52 Favored Pre-proline 0 N--CA 1.446 -0.639 0 CA-C-N 115.028 -0.987 . . . . 42.32 108.649 174.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -52.2 -63.29 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.465 0 C-N-CA 122.352 2.035 . . . . 75.13 111.492 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.488 ' HA ' ' CE2' ' A' ' 88' ' ' PHE . 25.1 p90 -175.16 98.86 0.08 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.328 0.585 . . . . 74.32 110.584 174.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.43 -60.56 3.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.758 -0.655 . . . . 62.11 110.401 175.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -179.48 53.97 0.09 OUTLIER Glycine 0 N--CA 1.444 -0.774 0 N-CA-C 110.668 -0.973 . . . . 64.32 110.668 -179.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.488 ' CE2' ' HA ' ' A' ' 85' ' ' PHE . 78.6 m-85 -68.47 101.31 1.22 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.103 0.478 . . . . 74.15 110.7 -176.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.598 ' HB2' ' HB2' ' A' ' 62' ' ' TYR . 11.4 mmt180 -101.99 115.65 30.99 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.689 -0.687 . . . . 62.33 110.257 -179.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 82.6 mt -91.87 95.8 10.04 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.417 0.627 . . . . 65.24 110.749 -178.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -86.25 91.64 8.53 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.616 -0.883 . . . . 62.22 108.616 177.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 41.3 mm -71.57 105.48 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.673 -0.694 . . . . 74.24 110.55 -174.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.583 ' HB ' ' HB3' ' A' ' 58' ' ' ALA . 39.6 mm -80.68 76.17 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.51 0 CA-C-O 121.614 0.721 . . . . 70.32 109.446 177.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -88.78 96.24 10.6 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.805 -1.088 . . . . 52.45 108.742 176.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.65 -21.27 15.91 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.526 -0.761 . . . . 73.44 111.009 -172.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.53 ' HB2' ' CB ' ' A' ' 56' ' ' SER . 7.5 t70 -64.62 112.19 7.33 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.15 -0.477 . . . . 72.41 111.245 -172.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 2.5 Cg_endo . . . . . 0 C--O 1.248 1.018 0 C-N-CA 122.943 2.428 . . . . 65.34 111.091 177.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 109.882 -0.414 . . . . 74.52 109.882 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.8 52.62 0.02 OUTLIER Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.535 -0.841 . . . . 75.21 112.107 178.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 5.1 m80 -91.55 115.72 28.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.507 0.194 . . . . 74.43 111.308 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.0 p80 -102.18 100.23 10.42 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.684 0.754 . . . . 74.43 109.106 170.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.7 t-80 -105.49 14.94 27.9 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.31 -0.859 . . . . 54.54 110.262 -173.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.6 t60 -83.17 126.45 32.63 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.686 -0.688 . . . . 74.22 110.216 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.7 m80 -141.25 142.19 33.94 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.461 -0.57 . . . . 75.41 109.461 177.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -93.71 -66.48 0.92 Allowed 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 110.362 -0.236 . . . . 72.24 110.362 177.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 10.4 m 67.99 126.13 0.02 OUTLIER 'General case' 0 CA--C 1.53 0.174 0 O-C-N 124.031 0.832 . . . . 71.42 111.225 -177.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -78.92 71.4 5.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.253 0.549 . . . . 64.4 109.966 177.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -105.84 141.48 15.41 Favored Glycine 0 N--CA 1.445 -0.754 0 CA-C-N 115.395 -0.82 . . . . 45.01 111.393 179.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -91.04 -40.41 11.65 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.163 0.506 . . . . 74.44 110.131 -178.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 p-10 -96.38 104.83 16.83 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.657 -0.701 . . . . 53.44 110.587 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.7 p -166.23 120.47 1.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.082 -0.508 . . . . 73.02 110.833 178.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 28.3 m -119.04 144.34 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.347 -0.388 . . . . 63.02 110.636 176.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.778 ' H ' ' HB2' ' A' ' 86' ' ' ASP . 37.7 m80 -89.05 91.84 8.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.098 -0.501 . . . . 72.32 110.356 178.388 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 30' ' ' ASP . 75.8 mt -78.14 93.37 4.54 Favored 'General case' 0 C--N 1.316 -0.856 0 N-CA-C 109.308 -0.627 . . . . 64.34 109.308 174.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.712 ' HB2' ' HA ' ' A' ' 89' ' ' ARG . 74.8 m-70 -74.28 82.48 1.87 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.92 -0.582 . . . . 75.44 111.017 -176.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.47 ' HB ' ' HB3' ' A' ' 29' ' ' ALA . 70.8 mt -62.32 111.14 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.66 -0.496 . . . . 70.44 109.66 175.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.5 m -122.73 142.27 50.89 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.064 -0.516 . . . . 54.53 110.309 -175.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -94.49 167.03 11.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.457 -0.338 . . . . 60.0 110.759 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -82.91 -45.12 14.58 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.1 -0.5 . . . . 61.45 110.377 177.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -72.55 -57.46 4.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.868 -0.605 . . . . 73.04 110.464 178.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 99.0 mt -75.02 102.39 4.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.921 -0.581 . . . . 70.44 110.479 178.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.7 tptt -63.86 -53.11 55.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.942 -0.572 . . . . 72.15 110.775 179.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -89.91 87.73 7.05 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.157 0.503 . . . . 75.14 109.681 178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 22.1 t80 -127.29 92.1 3.44 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.748 -0.66 . . . . 74.22 110.174 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.1 m -85.41 94.15 8.91 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.631 -0.713 . . . . 54.25 110.311 178.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.47 ' HB3' ' HB ' ' A' ' 19' ' ' ILE . . . -124.96 26.34 7.05 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.78 -0.645 . . . . 21.42 110.151 177.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . 0.496 ' HA ' ' O ' ' A' ' 17' ' ' LEU . 9.1 p-10 -72.99 118.89 16.5 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.826 0.822 . . . . 74.31 110.582 -179.458 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.546 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . . . -115.2 146.2 41.65 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.342 -0.844 . . . . 75.45 110.191 177.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 28.3 ptt180 -78.37 98.97 6.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.403 0.621 . . . . 55.33 110.782 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 31' ' ' ALA . 75.1 m-85 -107.57 154.41 21.45 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.719 -0.673 . . . . 73.21 110.412 178.525 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . 0.441 ' HA ' ' HD3' ' A' ' 35' ' ' PRO . 31.8 m -78.94 143.9 62.74 Favored Pre-proline 0 C--N 1.323 -0.567 0 N-CA-C 108.905 -0.776 . . . . 72.42 108.905 170.067 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 34' ' ' SER . 10.7 Cg_exo -71.89 30.57 0.25 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 123.18 2.587 . . . . 51.42 113.011 -175.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -115.28 20.54 14.82 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.04 0.448 . . . . 63.32 110.796 -177.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' MET . . . . . . . . . . . . . 56.9 ttp -120.77 106.55 11.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.771 -0.65 . . . . 74.13 109.775 175.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 19.3 m -78.73 159.0 28.16 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.057 0.456 . . . . 65.35 111.549 -177.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.72 ' HB ' ' HB2' ' A' ' 75' ' ' ASP . 57.8 t -64.88 -28.0 43.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.828 -0.624 . . . . 64.02 110.749 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -54.65 -31.06 56.92 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.229 0.538 . . . . 60.42 110.907 176.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.5 -40.78 22.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.002 -0.545 . . . . 74.42 111.545 -178.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.434 HG12 ' HA ' ' A' ' 39' ' ' VAL . 10.4 p -69.28 -32.58 54.18 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 120.868 -0.333 . . . . 55.34 110.898 -176.202 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -62.03 -44.5 96.58 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-O 120.879 0.371 . . . . 75.14 110.03 175.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -64.69 -39.63 93.99 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.63 -0.714 . . . . 53.14 110.256 179.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -67.85 -33.25 74.41 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.384 -0.826 . . . . 74.54 111.015 -176.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 98.3 mt -79.74 -35.98 38.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.206 0.527 . . . . 53.2 110.336 175.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TRP . . . . . . . . . . . . . 24.4 t90 -63.69 -33.53 75.85 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.443 -0.799 . . . . 74.21 110.663 179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 65.7 mttm -94.46 5.74 50.89 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.245 -0.434 . . . . 74.55 111.124 178.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.3 ttmp? -100.67 -60.15 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.893 0.378 . . . . 74.41 110.397 177.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 38.5 m -99.12 -11.46 21.39 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.356 -0.384 . . . . 71.21 111.103 -176.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.06 35.54 90.73 Favored Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.749 -0.739 . . . . 52.24 111.82 -177.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.0 m -107.85 133.59 52.0 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 110.27 -0.27 . . . . 64.54 110.27 -178.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.3 m -68.3 123.99 22.26 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.927 -0.397 . . . . 63.2 109.927 176.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 35.4 m -72.36 2.93 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.347 0 N-CA-C 112.348 0.499 . . . . 73.52 112.348 -172.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -71.37 -15.37 62.38 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.242 0.544 . . . . 75.22 110.623 178.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.3 m -95.74 0.65 52.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.22 -0.446 . . . . 54.44 110.65 179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 53.7 ttp -142.1 110.77 6.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.032 -0.531 . . . . 55.24 111.024 -174.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -107.04 148.78 28.31 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.376 -0.375 . . . . 64.21 110.027 178.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 73.2 mt -97.72 109.57 22.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.44 0.638 . . . . 74.22 110.761 179.338 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.702 ' HB3' ' HB3' ' A' ' 91' ' ' HIS . 2.4 tm-20 -90.03 153.61 20.44 Favored 'General case' 0 C--N 1.316 -0.883 0 CA-C-N 114.849 -1.069 . . . . 74.12 108.779 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.564 HD11 ' HB3' ' A' ' 88' ' ' PHE . 21.3 tp -132.35 104.64 6.83 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.185 -0.606 . . . . 52.12 112.068 -171.025 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.586 ' HB2' ' HB2' ' A' ' 89' ' ' ARG . 56.5 m-85 -87.04 146.47 26.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.62 -0.718 . . . . 72.31 109.126 171.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.465 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 1.0 OUTLIER -115.89 153.5 31.41 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.529 -0.545 . . . . 75.31 109.529 174.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -90.97 23.38 3.21 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 112.643 0.609 . . . . 73.43 112.643 -174.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' SER . . . . . . . . . . . . . 20.0 t -122.87 -54.89 1.82 Allowed 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.933 0.397 . . . . 53.42 110.118 175.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -100.71 -86.33 1.91 Allowed Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 121.012 -0.614 . . . . 62.34 112.303 -179.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 56.8 m -160.7 -76.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.944 0.402 . . . . 75.32 111.379 -177.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.427 ' HG2' ' CD1' ' A' ' 62' ' ' TYR . 4.4 mtpm? -138.9 102.42 4.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.04 -0.527 . . . . 54.44 109.854 -170.635 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.465 ' CG2' ' HB3' ' A' ' 63' ' ' ASP . 2.7 m -127.79 101.45 7.3 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 121.284 0.564 . . . . 75.05 110.817 178.505 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.75 110.18 18.73 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.884 -0.598 . . . . 72.42 110.53 -179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.498 ' HB ' ' OD1' ' A' ' 74' ' ' ASP . 46.9 t -68.27 -59.78 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.628 -0.508 . . . . 60.25 109.628 177.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 19.2 tp 71.51 5.54 5.44 Favored 'General case' 0 N--CA 1.465 0.275 0 CA-C-N 115.626 -0.716 . . . . 63.1 111.253 172.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.45 ' H ' HG12 ' A' ' 71' ' ' VAL . 43.0 t -103.47 -6.68 21.58 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 108.231 -1.025 . . . . 73.41 108.231 172.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.498 ' OD1' ' HB ' ' A' ' 71' ' ' VAL . 9.0 p-10 -93.62 -15.82 24.96 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.449 -1.251 . . . . 72.25 110.525 -178.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.72 ' HB2' ' HB ' ' A' ' 39' ' ' VAL . 9.2 p-10 -61.57 -33.46 73.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.823 -0.626 . . . . 72.43 111.308 -175.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 1.5 p -105.5 10.51 33.17 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.681 -0.691 . . . . 63.21 111.138 -177.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 9.5 mmm180 -118.31 159.77 42.18 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 109.431 -0.581 . . . . 61.24 109.431 179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -59.04 110.38 0.67 Allowed 'Trans proline' 0 N--CA 1.463 -0.322 0 C-N-CA 121.896 1.73 . . . . 74.13 110.769 172.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 26.6 tp -58.59 -27.12 64.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.385 -0.371 . . . . 75.53 111.642 -172.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -74.93 -10.43 83.85 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 121.185 -0.531 . . . . 73.41 112.654 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -78.31 -42.52 30.52 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.535 -0.543 . . . . 73.43 109.535 176.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -77.47 -41.66 38.72 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.827 -0.624 . . . . 72.15 110.233 176.346 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 39.1 t 67.79 91.37 0.07 OUTLIER Pre-proline 0 C--O 1.234 0.259 0 CA-C-N 115.807 -0.633 . . . . 53.45 111.004 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -90.33 177.09 2.44 Favored 'Trans proline' 0 N--CA 1.457 -0.638 0 C-N-CA 123.14 2.56 . . . . 61.31 112.627 179.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.598 ' H ' ' HE2' ' A' ' 88' ' ' PHE . 59.3 m-85 -95.58 175.96 6.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.926 -0.579 . . . . 72.13 109.724 177.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.778 ' HB2' ' H ' ' A' ' 16' ' ' HIS . 3.7 p-10 -95.38 -9.26 33.34 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.795 0.331 . . . . 61.15 110.69 179.524 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -91.03 64.27 2.72 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.799 -0.715 . . . . 45.22 112.248 179.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.598 ' HE2' ' H ' ' A' ' 85' ' ' PHE . 49.7 m-85 -135.1 141.46 46.03 Favored 'General case' 0 C--O 1.237 0.402 0 CA-C-O 121.046 0.451 . . . . 74.22 110.862 179.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ARG . . . . . 0.712 ' HA ' ' HB2' ' A' ' 18' ' ' HIS . 80.2 mtt85 -110.16 117.87 34.87 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.032 -0.531 . . . . 74.43 110.888 178.634 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 93.2 mt -78.43 90.81 4.45 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.187 -0.672 . . . . 71.34 109.187 174.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.702 ' HB3' ' HB3' ' A' ' 60' ' ' GLU . 19.1 t-160 -86.03 97.83 10.5 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 115.866 -0.607 . . . . 54.41 109.833 -175.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 68.3 mt -66.42 114.13 3.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.547 -0.752 . . . . 74.41 110.488 -179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.0 mm -97.68 94.73 4.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 120.989 0.423 . . . . 61.44 110.7 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -94.48 107.84 19.8 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.13 -0.693 . . . . 74.32 109.13 171.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 97.0 mt -69.06 -74.48 0.13 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.897 -0.592 . . . . 72.0 110.223 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.433 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 3.5 p-10 -128.05 124.0 22.92 Favored Pre-proline 0 C--N 1.314 -0.963 0 CA-C-N 116.316 -0.402 . . . . 72.41 110.128 177.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 96' ' ' ASP . 3.0 Cg_exo . . . . . 0 C--O 1.249 1.062 0 C-N-CA 123.051 2.5 . . . . 73.52 112.006 178.611 . . . . . . . . 1 1 . 1 stop_ save_