data_2kan_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 2kan _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 ' 15' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.9 pt -94.41 157.42 3.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.277 0.56 . . . . 0.0 110.729 -175.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.64 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 77.7 m80 -103.5 111.59 24.12 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.383 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -100.18 141.34 17.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.945 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -91.88 110.02 21.37 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.907 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.5 t -94.5 111.63 25.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.946 0.403 . . . . 0.0 109.957 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -108.61 114.5 28.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.671 -176.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.508 ' C ' ' H ' ' A' ' 24' ' ' SER . 27.4 m-85 -95.21 166.64 14.42 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.36 19.96 0.25 Allowed 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.758 2.306 . . . . 0.0 112.042 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.508 ' H ' ' C ' ' A' ' 22' ' ' PHE . 13.9 p -150.63 -55.29 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.011 -176.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -119.34 165.21 14.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.18 -175.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -140.26 127.07 20.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.953 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -146.83 162.41 38.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.754 0.312 . . . . 0.0 110.376 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -111.43 141.15 45.36 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 t -126.93 139.62 51.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.083 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.64 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 50.3 mt-10 -88.92 112.92 23.88 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 121.422 0.63 . . . . 0.0 110.008 176.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.441 HG12 ' CD ' ' A' ' 43' ' ' LYS . 15.2 m -130.74 154.42 40.62 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.207 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -73.17 155.13 39.94 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.47 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -76.43 -19.83 57.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.007 0.432 . . . . 0.0 111.066 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.9 p -100.92 14.34 32.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.248 0.547 . . . . 0.0 110.504 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.51 140.03 58.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.296 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -74.4 154.42 38.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.268 178.349 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.7 -37.25 77.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.29 0.567 . . . . 0.0 109.716 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.569 ' HB3' ' CG ' ' A' ' 67' ' ' ASP . 2.8 p -62.18 -38.96 91.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.802 174.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.2 m -78.54 -22.06 47.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.23 0.538 . . . . 0.0 109.633 -174.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.741 HD22 HD12 ' A' ' 57' ' ' LEU . 15.9 tp -71.06 -50.0 38.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.52 -0.764 . . . . 0.0 108.988 173.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HB3' HG23 ' A' ' 52' ' ' ILE . 86.5 mttt -64.67 -33.6 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.785 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.451 ' O ' HG13 ' A' ' 46' ' ' ILE . 2.0 m-20 -54.74 -53.36 56.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.978 0.418 . . . . 0.0 110.591 174.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.441 ' CD ' HG12 ' A' ' 31' ' ' VAL . 57.9 mttp -62.18 -41.3 98.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.286 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 40' ' ' LEU . 68.1 mt -65.36 -38.15 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.66 0.267 . . . . 0.0 110.721 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -64.96 -30.26 71.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.989 0.423 . . . . 0.0 111.009 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 42' ' ' ASP . 86.4 mt -70.27 -32.09 49.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.005 0.431 . . . . 0.0 110.37 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.03 -54.95 7.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.514 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.565 ' CD ' ' H ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER -97.85 165.73 11.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.196 0.522 . . . . 0.0 110.585 -174.534 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.565 ' H ' ' CD ' ' A' ' 48' ' ' GLU . 32.5 m-80 -76.83 -27.88 55.32 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.419 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.545 HG22 HD23 ' A' ' 86' ' ' LEU . 21.3 m -57.04 126.46 73.29 Favored Pre-proline 0 C--O 1.235 0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 112.483 -175.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.672 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 39.7 Cg_exo -60.75 151.72 74.69 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 123.229 2.62 . . . . 0.0 112.164 171.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.502 ' HA ' ' HE1' ' A' ' 55' ' ' MET . 53.3 mt -60.36 -47.01 94.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -173.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -68.92 -21.18 64.23 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.672 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 3.6 mpt_? -89.76 -29.35 18.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.734 -0.387 . . . . 0.0 111.909 -174.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.522 ' HB3' HG22 ' A' ' 50' ' ' THR . 21.9 ptt? -90.47 129.09 36.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.986 0.422 . . . . 0.0 110.543 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.488 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 12.4 mm-40 -110.4 137.46 48.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.549 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.741 HD12 HD22 ' A' ' 40' ' ' LEU . 31.9 mt -99.0 128.96 45.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.038 -176.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -118.79 121.85 41.02 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.761 0.315 . . . . 0.0 110.589 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -114.94 102.06 9.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 m 51.48 33.13 9.79 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.666 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 113.44 -18.01 20.8 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.504 -0.855 . . . . 0.0 113.106 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.13 125.56 51.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 117.016 0.408 . . . . 0.0 110.641 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -79.66 118.7 21.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.835 174.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 22.5 mt -85.5 79.33 9.45 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.45 -8.86 18.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.558 -175.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.507 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . 65.4 m-20 -89.6 95.59 10.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.235 0.541 . . . . 0.0 110.839 -178.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.569 ' CG ' ' HB3' ' A' ' 38' ' ' SER . 17.9 t70 -58.92 -26.78 64.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.592 -176.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -86.58 -13.77 44.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.683 -173.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.507 ' HG3' ' HB3' ' A' ' 66' ' ' ASP . 63.4 mtp180 -89.47 166.87 13.42 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.95 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.477 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 90.8 m-20 -103.11 170.41 7.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.383 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.679 HD13 HD12 ' A' ' 40' ' ' LEU . 63.6 mt -68.32 -32.74 73.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.003 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.11 -28.42 70.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.37 -34.64 75.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.155 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -92.24 -12.33 32.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.52 55.72 3.85 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.028 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.471 HD11 HD21 ' A' ' 71' ' ' LEU . 59.2 mt -100.56 122.33 52.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -178.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 t -110.1 -171.65 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.623 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 35.5 tt0 -74.47 152.72 39.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.633 0.254 . . . . 0.0 110.948 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 68.11 21.82 8.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.483 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -73.06 146.06 46.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.381 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -100.51 100.9 11.71 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.12 0.486 . . . . 0.0 110.105 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.5 mm -94.43 106.7 18.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.646 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.66 115.65 29.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.534 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.5 t -97.18 107.59 20.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.986 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -96.13 118.76 33.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.239 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.545 HD23 HG22 ' A' ' 50' ' ' THR . 21.8 mt -85.93 119.6 26.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.728 -176.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 C--N 1.322 -0.625 0 CA-C-O 121.421 0.629 . . . . 0.0 110.089 -179.821 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt . . . . . 0 N--CA 1.441 -0.912 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.0 pt -88.16 142.9 12.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-O 121.495 0.664 . . . . 0.0 110.797 -172.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.485 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 66.5 m80 -94.21 101.17 13.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.917 -177.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.3 m -90.28 147.99 4.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 m -96.57 109.5 22.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.7 t -97.28 112.7 29.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.087 0.47 . . . . 0.0 109.904 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.559 ' HD2' ' HG3' ' A' ' 81' ' ' GLU . 50.3 mtpt -107.32 106.06 16.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.608 -174.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -92.85 160.45 33.99 Favored Pre-proline 0 C--N 1.318 -0.795 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.0 -18.91 64.1 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.463 2.108 . . . . 0.0 112.506 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.2 m -103.32 -28.44 11.85 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -163.18 165.08 24.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.046 0.45 . . . . 0.0 111.295 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.49 ' OE1' ' HE3' ' A' ' 21' ' ' LYS . 22.3 tt0 -129.45 136.59 50.1 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.028 178.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -148.6 166.92 26.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.673 0.273 . . . . 0.0 110.855 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -103.83 140.6 37.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.309 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.8 t -126.28 140.86 47.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.485 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 43.9 mt-10 -92.12 120.05 32.36 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.443 0.639 . . . . 0.0 110.672 175.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.749 HG12 HD13 ' A' ' 40' ' ' LEU . 33.9 m -133.21 158.44 43.07 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.517 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -75.74 152.82 37.34 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.888 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -72.18 -23.84 61.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.801 0.334 . . . . 0.0 111.072 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.9 p -103.47 13.97 32.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.189 0.519 . . . . 0.0 110.189 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.504 ' CD ' ' HZ3' ' A' ' 43' ' ' LYS . 33.0 tt0 -67.79 149.18 50.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.173 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 32.3 p -84.9 157.52 20.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.754 0.312 . . . . 0.0 110.689 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.486 HG11 ' HE3' ' A' ' 41' ' ' LYS . 61.4 t -60.36 -26.11 36.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.666 0.746 . . . . 0.0 109.788 176.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 t -63.86 -48.34 77.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.856 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.6 m -76.46 -21.56 55.71 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.534 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.749 HD13 HG12 ' A' ' 31' ' ' VAL . 12.1 tp -65.47 -53.98 34.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.501 175.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.504 ' HB3' HG21 ' A' ' 52' ' ' ILE . 89.5 mttt -62.26 -34.99 77.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.492 178.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.508 ' O ' HG13 ' A' ' 46' ' ' ILE . 21.8 t70 -56.46 -53.6 55.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.154 -177.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.504 ' HZ3' ' CD ' ' A' ' 35' ' ' GLU . 37.3 mtmm -69.26 -33.14 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.74 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 40' ' ' LEU . 66.6 mt -62.07 -37.89 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 175.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -70.02 -29.77 66.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 42' ' ' ASP . 91.0 mt -73.69 -39.46 53.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.907 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.5 t -76.3 -47.85 29.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.154 0.502 . . . . 0.0 110.708 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 4.0 mm-40 -95.57 -170.27 2.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.567 -175.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -106.62 -40.53 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.931 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.452 HG23 ' HB3' ' A' ' 55' ' ' MET . 29.6 m -49.85 123.61 15.38 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.062 -176.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_exo -57.2 148.87 67.36 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.028 2.486 . . . . 0.0 111.812 173.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.504 HG21 ' HB3' ' A' ' 41' ' ' LYS . 66.3 mt -60.73 -35.67 65.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.764 -173.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -78.45 -10.06 59.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.112 -174.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.541 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -103.56 -16.9 15.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 111.312 -175.663 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.495 ' HE3' ' HA ' ' A' ' 52' ' ' ILE . 24.5 ptt? -110.26 135.78 50.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.285 178.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -110.77 132.51 54.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.374 -178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.478 HD11 HD23 ' A' ' 40' ' ' LEU . 54.7 mt -92.74 128.93 38.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.524 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.465 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 74.8 m-85 -121.49 120.9 36.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.888 0.375 . . . . 0.0 110.804 176.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -90.7 102.1 14.85 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.0 m 60.76 17.06 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.16 -16.32 20.23 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.125 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 59.9 mt -80.0 126.68 39.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 122.262 0.225 . . . . 0.0 110.54 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -78.47 118.91 21.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.819 0.342 . . . . 0.0 110.474 -177.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.8 mt -83.6 88.62 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.027 0.442 . . . . 0.0 110.21 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.87 -38.47 16.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.229 -174.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.48 ' HB2' ' HB2' ' A' ' 69' ' ' ARG . 24.9 m-20 -78.87 105.92 10.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.876 0.37 . . . . 0.0 110.599 -175.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -71.64 -27.38 63.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.577 0.703 . . . . 0.0 110.198 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -84.68 -9.98 57.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.613 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.48 ' HB2' ' HB2' ' A' ' 66' ' ' ASP . 12.4 mtt85 -83.08 152.1 25.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.163 0.506 . . . . 0.0 112.144 -176.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 8.5 m-20 -79.19 161.63 26.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.458 175.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.58 HD11 HD12 ' A' ' 40' ' ' LEU . 67.8 mt -68.0 -32.76 73.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.862 0.363 . . . . 0.0 110.679 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.405 ' OD1' ' HB3' ' A' ' 70' ' ' ASN . 2.5 p-10 -63.01 -27.56 69.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 177.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 14.3 mm-40 -55.62 -39.17 70.44 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.971 0.415 . . . . 0.0 110.906 175.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.426 ' HB2' HG13 ' A' ' 76' ' ' ILE . 81.3 m-85 -94.49 0.19 55.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.653 -178.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.82 30.37 61.71 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.411 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.556 ' HB ' ' HB3' ' A' ' 71' ' ' LEU . 58.0 mt -76.13 119.11 23.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.082 0.468 . . . . 0.0 111.164 -177.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.2 t -114.55 -168.85 1.43 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.174 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.514 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 42.3 tt0 -72.7 147.81 45.31 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.514 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 42.3 m-85 62.71 33.78 15.25 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.511 0.672 . . . . 0.0 110.322 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 p -78.02 133.85 37.89 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.726 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.559 ' HG3' ' HD2' ' A' ' 21' ' ' LYS . 40.8 tt0 -90.9 103.95 16.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.343 0.592 . . . . 0.0 110.585 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.5 mm -98.6 108.49 22.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.854 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 t -91.3 122.31 42.59 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.567 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.51 103.74 15.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.099 0.476 . . . . 0.0 111.0 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.465 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 53.1 m-85 -91.61 130.63 37.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.727 176.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.4 mt -101.99 129.5 48.3 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.65 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 121.762 0.791 . . . . 0.0 110.605 -178.424 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 mptt . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 77' ' ' THR . 24.4 pt -110.14 172.42 2.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.429 -173.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.632 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 49.2 m80 -112.65 103.3 11.34 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.651 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.43 146.33 6.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.53 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.52 ' HB ' ' HG2' ' A' ' 81' ' ' GLU . 27.3 m -100.73 109.79 21.84 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.2 t -91.63 116.76 33.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.109 0.48 . . . . 0.0 110.485 -177.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -103.31 105.69 16.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.127 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.451 ' C ' ' H ' ' A' ' 24' ' ' SER . 11.6 m-85 -94.29 156.62 38.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.92 33.86 0.28 Allowed 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 122.738 2.292 . . . . 0.0 112.698 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.451 ' H ' ' C ' ' A' ' 22' ' ' PHE . 3.4 p -156.32 -53.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.602 -178.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.04 165.14 27.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.778 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -125.68 141.05 52.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.383 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -152.8 158.96 43.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m -101.36 144.55 30.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.586 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.0 t -132.04 142.46 42.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.632 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 49.9 mt-10 -91.49 120.61 32.46 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.371 0.605 . . . . 0.0 110.889 177.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.5 HG13 ' HD2' ' A' ' 43' ' ' LYS . 5.6 m -137.32 154.58 30.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.195 177.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -75.0 152.37 38.74 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.85 -19.17 59.1 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.479 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.9 p -97.57 13.78 28.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.239 0.542 . . . . 0.0 110.194 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.461 ' HG3' ' HB2' ' A' ' 39' ' ' SER . 5.4 tp10 -65.12 147.91 52.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.721 -178.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.2 149.11 29.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.407 173.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.509 HG13 ' HE3' ' A' ' 41' ' ' LYS . 53.7 t -59.18 -32.31 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.119 0.485 . . . . 0.0 110.39 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.602 ' HB3' ' HB3' ' A' ' 67' ' ' ASP . 12.4 p -60.98 -39.75 90.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.921 175.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.461 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 20.0 m -79.58 -17.63 53.47 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.036 -175.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.555 HD11 HD11 ' A' ' 71' ' ' LEU . 18.7 tp -72.69 -52.43 15.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.16 174.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.509 ' HE3' HG13 ' A' ' 37' ' ' VAL . 90.8 mttt -59.8 -37.51 79.34 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.067 176.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.419 ' O ' HG13 ' A' ' 46' ' ' ILE . 9.3 t70 -54.49 -54.05 46.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.046 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.5 ' HD2' HG13 ' A' ' 31' ' ' VAL . 62.2 mttp -62.95 -41.18 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.349 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.18 -35.45 75.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.823 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -71.13 -30.86 67.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.919 0.39 . . . . 0.0 111.136 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.7 mt -69.73 -27.77 34.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.341 0.591 . . . . 0.0 109.467 176.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.2 t -78.49 -60.04 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.319 175.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -111.01 152.34 26.95 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.195 0.521 . . . . 0.0 111.649 -168.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -71.6 -8.07 51.74 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.925 -171.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.504 HG21 HD23 ' A' ' 86' ' ' LEU . 26.0 m -70.3 123.25 88.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 121.316 0.579 . . . . 0.0 111.612 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.504 ' HG2' ' HD2' ' A' ' 54' ' ' ARG . 48.9 Cg_exo -56.52 143.29 88.52 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.452 2.768 . . . . 0.0 112.531 173.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' A' ' 41' ' ' LYS . 56.4 mt -60.73 -40.65 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.015 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -72.82 -9.68 58.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.504 ' HD2' ' HG2' ' A' ' 51' ' ' PRO . 60.1 mtt180 -100.3 -40.22 7.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.929 0.395 . . . . 0.0 111.296 -178.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.402 ' HB3' HG21 ' A' ' 50' ' ' THR . 26.0 ptt? -85.38 124.81 32.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.789 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -111.68 131.06 55.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.472 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.674 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . 41.2 mt -88.38 136.93 32.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.927 -174.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -128.81 122.27 30.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 175.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -101.43 107.36 18.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.0 t 64.53 -79.63 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.636 0.585 . . . . 0.0 110.208 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -143.64 8.53 2.05 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 55.9 mt -95.42 125.05 48.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.412 -0.394 . . . . 0.0 110.019 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -79.37 113.02 17.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.231 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.674 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 56.1 mt -83.44 77.16 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.378 0.608 . . . . 0.0 110.488 -177.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.36 -53.78 4.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.185 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -59.03 112.72 1.78 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.226 0.536 . . . . 0.0 111.661 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.602 ' HB3' ' HB3' ' A' ' 38' ' ' SER . 11.8 m-20 -76.43 -34.46 58.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.36 -177.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -76.17 -5.16 45.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.005 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -83.59 163.26 20.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.031 0.443 . . . . 0.0 111.101 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.442 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 5.1 m-20 -100.08 152.99 19.59 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.191 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.555 HD11 HD11 ' A' ' 40' ' ' LEU . 60.1 mt -65.1 -36.85 85.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.679 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.442 ' OD1' ' HB3' ' A' ' 70' ' ' ASN . 3.5 p-10 -59.88 -28.09 67.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.545 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.442 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 42.3 mt-10 -66.54 -30.4 70.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.594 0.235 . . . . 0.0 111.225 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -86.95 -7.0 58.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.673 0.273 . . . . 0.0 111.373 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.33 24.78 18.01 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.123 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.526 HG23 ' OG ' ' A' ' 80' ' ' SER . 59.4 mt -82.72 106.72 13.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.318 0.58 . . . . 0.0 110.006 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.606 ' O ' HG22 ' A' ' 16' ' ' ILE . 1.7 t -108.82 -54.42 2.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.883 -174.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.539 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 9.5 tp10 -172.57 144.78 1.49 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 61.3 m-85 56.86 26.73 11.98 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.764 0.425 . . . . 0.0 111.713 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.526 ' OG ' HG23 ' A' ' 76' ' ' ILE . 6.0 p -73.68 125.25 27.62 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.52 ' HG2' ' HB ' ' A' ' 19' ' ' THR . 48.3 mt-10 -85.95 128.3 34.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.643 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.8 mm -112.91 117.72 56.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.5 t -91.84 119.1 38.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.0 t -96.12 103.69 14.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.196 0.522 . . . . 0.0 110.72 -176.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -91.36 112.4 24.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.214 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.504 HD23 HG21 ' A' ' 50' ' ' THR . 25.7 mt -80.34 103.41 10.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.854 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 122.018 0.913 . . . . 0.0 108.643 178.809 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.559 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.448 HG21 ' HG2' ' A' ' 33' ' ' ARG . 31.8 pt -88.11 143.57 10.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.193 0.521 . . . . 0.0 110.229 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -91.27 102.65 15.36 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.382 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.7 m -91.36 141.27 14.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.224 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -101.39 109.84 21.74 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 177.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.74 116.29 31.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.707 -174.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.505 ' HE3' ' HG2' ' A' ' 81' ' ' GLU . 1.7 mptm? -94.68 110.13 22.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.078 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -112.33 148.69 39.69 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.609 172.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -67.62 -10.59 29.25 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.133 1.889 . . . . 0.0 111.259 172.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 m -95.6 -37.81 10.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.013 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -167.52 174.42 7.87 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.331 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -131.67 133.13 44.56 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -151.73 161.84 42.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.86 0.362 . . . . 0.0 111.188 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -107.79 143.69 36.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.812 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.1 t -130.14 141.7 45.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.349 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -89.82 109.15 20.16 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.272 0.558 . . . . 0.0 110.275 172.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.0 m -121.18 153.6 24.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.709 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 12.0 t70 -69.47 153.58 43.3 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.448 ' HG2' HG21 ' A' ' 16' ' ' ILE . 95.7 mtt180 -66.71 -28.05 68.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.261 0.553 . . . . 0.0 110.689 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.4 p -98.82 14.53 28.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.676 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.518 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 4.9 tp10 -58.0 129.81 43.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.25 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.514 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -71.72 154.58 41.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.296 176.719 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.433 HG11 ' HE3' ' A' ' 41' ' ' LYS . 87.0 t -61.78 -36.48 73.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.327 0.585 . . . . 0.0 109.787 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.592 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 1.7 p -62.94 -34.16 76.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.765 174.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 m -79.75 -32.49 41.05 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.957 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.635 HD13 HD11 ' A' ' 71' ' ' LEU . 18.4 tp -62.38 -44.87 95.44 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.657 176.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HE3' HG11 ' A' ' 37' ' ' VAL . 92.3 mttt -58.26 -44.85 88.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.79 177.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.52 ' O ' HG13 ' A' ' 46' ' ' ILE . 33.6 t70 -63.54 -43.19 97.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.468 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -54.77 -50.48 68.35 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.629 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.71 -38.87 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.823 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.77 -30.87 71.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.517 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 42' ' ' ASP . 98.9 mt -73.36 -36.83 49.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.973 0.416 . . . . 0.0 110.922 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.0 t -81.13 -49.99 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.072 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -93.12 -171.62 2.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -99.49 -45.14 5.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.255 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.463 HG23 ' HB3' ' A' ' 55' ' ' MET . 16.4 m -46.3 126.75 7.58 Favored Pre-proline 0 C--O 1.236 0.375 0 CA-C-N 114.799 -1.091 . . . . 0.0 113.274 -172.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -60.27 147.06 95.06 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 123.406 2.737 . . . . 0.0 112.039 171.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.42 ' CG2' ' HD3' ' A' ' 41' ' ' LYS . 84.8 mt -61.43 -29.06 45.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.742 -176.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.8 mtmt -63.43 -37.89 89.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.952 0.406 . . . . 0.0 111.96 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 48.9 mtt180 -92.06 -36.03 13.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.834 -168.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.463 ' HB3' HG23 ' A' ' 50' ' ' THR . 26.7 ptt? -83.01 130.01 35.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.11 0.481 . . . . 0.0 111.008 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -115.19 135.76 53.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.786 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.566 HD11 HD22 ' A' ' 40' ' ' LEU . 43.3 mt -95.6 128.76 42.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.171 -173.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.497 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 63.8 m-85 -129.23 137.98 51.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.415 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -123.45 112.57 17.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.151 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.2 t 65.79 -88.67 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 O-C-N 123.611 0.57 . . . . 0.0 110.051 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.77 9.56 3.67 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 173.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.4 mt -98.34 126.58 51.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.111 -0.545 . . . . 0.0 110.513 -176.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -80.45 120.02 23.9 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.925 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.3 mt -80.66 80.3 7.14 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.93 -33.57 13.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.1 -175.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.479 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 59.3 m-20 -71.82 96.67 1.68 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.086 0.469 . . . . 0.0 110.663 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.592 ' OD2' ' HB3' ' A' ' 38' ' ' SER . 17.2 t70 -66.52 -27.54 67.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.541 -178.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -82.21 -11.38 58.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.527 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -85.67 164.79 17.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 111.494 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.554 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 1.8 m-20 -106.31 166.99 10.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.467 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.635 HD11 HD13 ' A' ' 40' ' ' LEU . 56.5 mt -64.1 -38.63 91.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.855 0.36 . . . . 0.0 111.318 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -59.36 -27.95 66.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.111 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.554 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 6.1 mm-40 -59.97 -33.33 71.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.79 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.479 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 62.5 m-85 -97.29 -5.57 36.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.931 0.396 . . . . 0.0 110.712 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.01 26.42 53.16 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.31 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.487 HD11 HD21 ' A' ' 71' ' ' LEU . 52.7 mt -70.6 113.46 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.156 0.503 . . . . 0.0 110.558 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 t -103.38 -168.43 1.51 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.133 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -78.0 151.03 33.79 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 70.9 22.15 4.78 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.615 0.721 . . . . 0.0 109.85 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -75.96 126.31 30.76 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.514 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.505 ' HG2' ' HE3' ' A' ' 21' ' ' LYS . 60.6 mt-10 -85.78 99.63 11.48 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.41 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.2 mm -84.75 111.91 21.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.427 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 t -91.54 112.18 25.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.779 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.3 t -98.8 109.94 25.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.188 0.518 . . . . 0.0 110.184 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.497 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 39.3 m-85 -90.91 109.49 20.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.253 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.409 HD22 HG23 ' A' ' 50' ' ' THR . 16.8 mt -82.95 108.33 16.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.126 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.99 179.24 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mptt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 121.09 0.471 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -99.93 162.39 3.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.748 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.596 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 67.2 m80 -106.75 108.09 19.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.245 -178.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.8 m -97.12 146.05 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.688 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.0 m -103.08 112.33 25.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.406 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.9 t -94.61 119.16 42.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.635 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.759 ' HD2' ' HG2' ' A' ' 81' ' ' GLU . 39.8 mtpt -99.65 107.24 19.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.997 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.528 ' HZ ' ' SD ' ' A' ' 55' ' ' MET . 1.1 m-85 -115.05 150.72 44.72 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.385 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.46 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 15.9 Cg_endo -60.31 -24.95 79.03 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.381 2.054 . . . . 0.0 110.88 170.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 m -72.21 -50.76 24.98 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.397 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -169.66 173.98 6.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.872 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -123.71 126.05 45.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 175.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -142.38 167.61 21.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.808 0.337 . . . . 0.0 111.488 -174.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -110.77 141.24 44.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.541 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.0 t -127.73 142.96 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.369 -0.378 . . . . 0.0 109.983 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.596 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 46.7 mt-10 -94.85 120.25 34.76 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.379 0.609 . . . . 0.0 110.344 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.558 HG11 HD11 ' A' ' 40' ' ' LEU . 11.5 m -136.96 152.17 28.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.309 -178.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.497 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 11.4 t70 -75.12 155.82 36.65 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.486 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -70.39 -33.24 71.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.217 0.532 . . . . 0.0 110.235 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.7 p -93.9 13.63 22.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.35 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 24.5 tt0 -73.58 141.99 46.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.467 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.9 p -85.45 154.57 21.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.615 0.245 . . . . 0.0 111.074 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.568 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 60.9 t -58.61 -29.95 40.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.07 0.462 . . . . 0.0 110.643 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.588 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 7.8 t -62.15 -42.06 98.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.498 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.1 m -71.9 -33.64 68.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.008 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.639 HD13 HD11 ' A' ' 71' ' ' LEU . 11.6 tp -60.43 -52.2 66.22 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.854 178.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -57.68 -44.52 85.84 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.942 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.497 ' O ' HG13 ' A' ' 46' ' ' ILE . 23.3 t70 -56.6 -48.39 77.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.977 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.474 ' NZ ' ' HA ' ' A' ' 31' ' ' VAL . 93.8 mttt -59.35 -48.56 81.16 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.42 179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 40' ' ' LEU . 64.3 mt -61.14 -38.07 78.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.598 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -64.06 -29.92 71.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.387 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 42' ' ' ASP . 83.7 mt -75.67 -37.0 35.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.994 0.426 . . . . 0.0 110.615 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -78.79 -51.53 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.4 141.36 32.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.916 -177.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -81.89 40.48 0.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.191 0.52 . . . . 0.0 110.883 -175.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.5 m -116.64 117.56 37.79 Favored Pre-proline 0 N--CA 1.447 -0.594 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.814 -178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.528 ' HD2' ' HD2' ' A' ' 54' ' ' ARG . 72.2 Cg_exo -51.06 141.87 36.36 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.316 2.677 . . . . 0.0 112.451 173.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.38 -28.44 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.649 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -65.46 -20.32 66.31 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.528 ' HD2' ' HD2' ' A' ' 51' ' ' PRO . 99.1 mtt180 -91.34 -40.25 11.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.883 0.373 . . . . 0.0 111.075 -176.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.528 ' SD ' ' HZ ' ' A' ' 22' ' ' PHE . 26.5 ptt? -93.04 123.87 36.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.904 -174.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -106.56 133.69 50.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.954 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.2 mt -93.35 128.49 39.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.535 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 77.4 m-85 -128.59 139.48 52.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.71 176.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.448 ' CD2' HG12 ' A' ' 76' ' ' ILE . 33.7 t80 -137.21 115.71 11.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.21 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.421 ' HG ' ' C ' ' A' ' 59' ' ' TYR . 74.7 p 52.83 32.3 12.11 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.503 0.721 . . . . 0.0 111.78 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.81 0.57 83.59 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.919 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.1 mt -91.3 126.43 43.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -81.51 117.6 22.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.121 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.2 mt -82.54 75.57 9.44 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.62 -21.3 18.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.008 -175.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.428 ' HB2' ' CD ' ' A' ' 69' ' ' ARG . 69.3 m-20 -98.25 112.35 24.37 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.337 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.588 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 15.8 m-20 -76.27 -20.37 57.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.714 -175.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -87.48 -8.85 55.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.0 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.461 ' HD3' ' OH ' ' A' ' 74' ' ' TYR . 14.3 mtp180 -81.94 151.7 27.1 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 120.906 0.384 . . . . 0.0 110.248 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.543 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 2.9 m-20 -85.79 158.26 20.04 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.158 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.639 HD11 HD13 ' A' ' 40' ' ' LEU . 74.6 mt -65.77 -34.88 79.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.883 0.373 . . . . 0.0 110.826 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -64.74 -27.57 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.997 178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.543 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 11.2 mm-40 -57.93 -43.62 86.4 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.083 0.468 . . . . 0.0 110.264 177.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.461 ' OH ' ' HD3' ' A' ' 69' ' ' ARG . 90.6 m-85 -78.97 -10.75 59.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.874 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.86 30.77 22.62 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.987 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.448 HG12 ' CD2' ' A' ' 59' ' ' TYR . 49.7 mt -79.11 113.71 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.032 0.444 . . . . 0.0 110.729 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.5 t -106.51 -171.39 1.88 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.522 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -71.19 149.58 46.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.669 0.271 . . . . 0.0 110.484 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.0 t80 66.61 26.41 9.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.799 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 p -74.28 125.14 27.8 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.226 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.759 ' HG2' ' HD2' ' A' ' 21' ' ' LYS . 30.4 tt0 -90.73 106.19 18.34 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.206 0.527 . . . . 0.0 110.005 -176.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.0 mm -90.52 112.73 25.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.004 -178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.2 t -88.48 114.87 27.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.673 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.411 HG11 ' CZ ' ' A' ' 22' ' ' PHE . 62.0 t -92.22 112.16 25.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.176 0.512 . . . . 0.0 110.624 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.535 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 51.9 m-85 -99.51 121.32 40.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.646 176.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 55' ' ' MET . 41.4 mt -88.8 145.8 25.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.965 0.412 . . . . 0.0 110.655 -177.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.664 ' HE2' ' HA ' ' A' ' 87' ' ' LYS . 11.0 mmpt? . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.092 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.7 pt -93.76 143.74 10.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 121.148 0.499 . . . . 0.0 109.842 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.613 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 77.8 m80 -95.19 103.25 15.1 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.005 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -90.89 143.54 11.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -177.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -93.12 109.99 21.48 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.064 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.43 113.75 28.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.16 0.505 . . . . 0.0 110.437 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -97.74 108.64 21.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.599 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -102.78 153.02 38.52 Favored Pre-proline 0 C--N 1.317 -0.847 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 170.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -58.78 -25.12 74.81 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.443 2.095 . . . . 0.0 111.554 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 m -82.04 -54.66 5.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.052 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -153.68 172.02 17.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.05 0.452 . . . . 0.0 111.328 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -120.93 139.34 53.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.991 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -153.46 162.98 40.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.454 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 m -106.37 142.77 35.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.9 t -127.96 140.51 48.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.271 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.613 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 50.6 mt-10 -87.38 119.55 27.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.58 0.705 . . . . 0.0 110.488 175.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.552 HG13 HD12 ' A' ' 40' ' ' LEU . 35.7 m -132.67 147.16 31.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.423 177.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 11.8 t70 -70.0 155.57 40.4 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -76.27 -19.29 58.45 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.102 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.0 p -100.57 14.07 32.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.049 173.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 3.9 tp10 -60.14 133.76 56.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.239 175.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 4.7 p -72.23 152.86 41.92 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.38 175.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.523 HG13 ' HE3' ' A' ' 41' ' ' LYS . 40.7 t -60.97 -31.21 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.659 0.743 . . . . 0.0 109.317 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 t -61.09 -40.18 92.72 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.594 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.0 m -79.74 -25.29 41.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.474 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 57' ' ' LEU . 16.5 tp -60.55 -52.15 66.42 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 173.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.523 ' HE3' HG13 ' A' ' 37' ' ' VAL . 82.1 mttt -63.99 -39.73 94.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.535 176.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' HG13 ' A' ' 46' ' ' ILE . 18.1 t70 -56.47 -50.63 71.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.38 -176.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -71.65 -33.01 68.54 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 40' ' ' LEU . 77.0 mt -63.0 -35.73 72.77 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 172.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -68.92 -29.03 67.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.894 0.378 . . . . 0.0 111.26 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.429 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.9 mt -75.37 -40.63 42.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.802 0.335 . . . . 0.0 110.532 178.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.5 t -77.56 -51.27 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.207 0.527 . . . . 0.0 110.814 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -101.21 148.38 25.17 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.153 -176.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -87.3 13.33 9.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.965 0.412 . . . . 0.0 111.493 -173.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.432 HG23 ' HB3' ' A' ' 55' ' ' MET . 7.3 m -80.56 129.02 70.35 Favored Pre-proline 0 N--CA 1.446 -0.626 0 CA-C-O 121.064 0.459 . . . . 0.0 111.076 -178.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.76 135.55 69.94 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.982 2.455 . . . . 0.0 112.053 172.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.515 HG23 ' HB3' ' A' ' 41' ' ' LYS . 53.1 mt -61.12 -37.17 76.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.089 -176.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -69.19 -14.7 63.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -107.53 -30.63 8.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.432 ' HB3' HG23 ' A' ' 50' ' ' THR . 26.0 ptt? -87.94 114.27 24.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.277 0.56 . . . . 0.0 110.646 176.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -103.11 134.45 46.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.501 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.586 HD11 HD22 ' A' ' 40' ' ' LEU . 18.6 mt -94.32 128.3 40.74 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.111 -176.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.591 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 48.5 m-85 -119.26 129.62 55.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.015 0.435 . . . . 0.0 111.045 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -126.01 120.45 30.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.792 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t 65.23 -92.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.54 0.525 . . . . 0.0 109.717 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.93 19.79 3.27 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 174.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 42.1 mt -120.57 132.32 70.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.621 -0.29 . . . . 0.0 110.432 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.591 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 15.3 pt-20 -85.36 138.65 32.14 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 171.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.4 mt -82.08 73.77 9.1 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.627 0.727 . . . . 0.0 110.17 -174.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.74 -43.91 52.5 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.063 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.562 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . 8.4 m-20 -63.79 119.57 10.21 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.009 0.433 . . . . 0.0 109.948 178.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -96.1 -27.77 14.92 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.944 -174.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -86.52 -3.76 59.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.018 -173.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.562 ' HG3' ' HB3' ' A' ' 66' ' ' ASP . 13.4 mtp180 -91.24 168.47 11.58 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.835 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 8.7 m120 -98.55 160.54 14.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.268 177.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.561 HD12 HD11 ' A' ' 40' ' ' LEU . 72.2 mt -63.33 -31.98 73.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.707 0.289 . . . . 0.0 111.516 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -62.44 -27.71 69.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.077 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -58.96 -33.28 70.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.747 0.308 . . . . 0.0 111.489 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.496 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 89.7 m-85 -89.69 -2.82 58.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.134 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.18 31.5 59.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.915 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.5 mt -71.14 128.48 34.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.417 0.627 . . . . 0.0 111.319 -177.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.0 t -103.86 -175.48 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.998 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -85.63 146.86 26.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.648 0.261 . . . . 0.0 110.555 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.9 t80 65.67 25.91 11.51 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.625 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -70.52 134.68 47.93 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.852 176.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -85.51 99.85 11.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.234 0.54 . . . . 0.0 110.798 -176.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.4 mm -90.45 108.09 19.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.506 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.2 t -90.68 115.25 29.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.862 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.54 103.73 14.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.32 0.581 . . . . 0.0 110.514 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.44 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 34.8 m-85 -91.31 114.53 27.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.055 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.2 mt -80.63 124.82 29.31 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.037 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt . . . . . 0 C--N 1.323 -0.543 0 CA-C-O 121.527 0.679 . . . . 0.0 109.914 177.767 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? . . . . . 0 C--O 1.235 0.333 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.5 pt -89.05 145.39 7.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.827 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -91.24 106.75 18.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.789 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -95.35 145.21 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.822 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.3 m -100.51 111.09 23.3 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.063 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.34 121.77 43.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.339 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.498 ' HZ1' ' CD ' ' A' ' 81' ' ' GLU . 17.5 mmtp -100.55 101.56 12.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.438 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.433 ' CD1' ' HD2' ' A' ' 23' ' ' PRO . 2.5 m-85 -105.17 155.96 36.93 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.903 175.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.433 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 16.0 Cg_endo -59.2 -26.02 80.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.236 1.957 . . . . 0.0 111.133 172.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.8 m -68.02 -58.91 3.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.482 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -167.23 173.29 9.13 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.163 0.506 . . . . 0.0 111.114 -174.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -102.71 126.29 49.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.307 174.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -143.95 163.4 33.58 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.014 -0.275 . . . . 0.0 110.843 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -111.96 143.04 43.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.355 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.1 t -129.71 146.19 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.304 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.86 118.14 28.35 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.036 0.446 . . . . 0.0 110.237 174.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.516 HG11 ' CD1' ' A' ' 40' ' ' LEU . 19.6 m -135.09 152.61 32.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.815 177.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -76.04 150.75 37.29 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -75.88 -22.27 56.31 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.314 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 p -98.03 14.27 28.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.237 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.4 ' HG3' ' HB2' ' A' ' 39' ' ' SER . 5.4 tp10 -72.04 146.39 47.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.411 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 1.9 p -82.41 156.28 24.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.271 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.67 -35.96 72.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.868 0.366 . . . . 0.0 110.495 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 t -57.76 -41.2 81.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.266 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.418 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 16.6 m -79.44 -18.45 52.13 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.903 -177.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.801 HD22 HD13 ' A' ' 57' ' ' LEU . 19.0 tp -73.09 -52.44 14.29 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.617 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.32 -33.12 75.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.712 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' O ' HG13 ' A' ' 46' ' ' ILE . 32.4 t70 -54.85 -50.49 68.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.313 175.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.43 ' HD2' HG13 ' A' ' 31' ' ' VAL . 59.9 mttp -61.81 -47.2 86.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.148 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 40' ' ' LEU . 65.8 mt -60.05 -39.44 80.35 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.182 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.373 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -66.25 -30.38 70.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.897 0.38 . . . . 0.0 111.135 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 42' ' ' ASP . 90.4 mt -71.97 -34.66 51.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.998 0.427 . . . . 0.0 110.699 177.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 68.3 t -81.15 -56.07 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.76 -174.62 4.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.457 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -102.27 -20.18 14.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.682 0.277 . . . . 0.0 111.096 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.52 HG23 HD22 ' A' ' 86' ' ' LEU . 10.5 m -62.27 128.76 91.6 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 121.363 0.601 . . . . 0.0 112.366 -173.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.22 146.58 81.17 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.31 2.673 . . . . 0.0 112.287 172.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.91 -32.15 54.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.34 -15.76 59.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.734 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -98.0 -31.23 12.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.943 0.402 . . . . 0.0 111.387 -172.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.482 ' HB3' HG23 ' A' ' 50' ' ' THR . 23.2 ptt? -96.97 133.14 42.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.077 0.465 . . . . 0.0 111.562 -178.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.467 ' HB2' ' HD3' ' A' ' 87' ' ' LYS . 4.0 tp-100 -114.17 143.1 45.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.859 177.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.801 HD13 HD22 ' A' ' 40' ' ' LEU . 42.6 mt -99.74 130.19 45.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.529 -176.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.527 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 82.6 m-85 -123.68 123.11 39.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.957 0.408 . . . . 0.0 110.83 178.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -116.97 110.76 18.69 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.259 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.9 m 61.3 26.86 16.63 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.1 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.68 -15.62 60.69 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.398 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.8 mt -83.78 123.26 38.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.648 0.261 . . . . 0.0 110.846 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -76.45 115.68 16.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.014 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.7 mt -82.0 79.35 8.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.809 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.38 -32.47 19.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.14 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.36 100.73 1.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.249 0.547 . . . . 0.0 110.511 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -72.52 -33.94 67.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.055 -174.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -80.6 -5.21 56.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.552 -175.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.04 160.45 18.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.121 0.486 . . . . 0.0 111.995 -175.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.511 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 3.5 m-20 -91.83 158.9 16.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.936 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.702 HD22 HD23 ' A' ' 40' ' ' LEU . 81.9 mt -69.26 -33.06 72.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.745 0.307 . . . . 0.0 111.265 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -63.1 -28.1 69.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.8 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.511 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 36.6 mm-40 -55.56 -36.1 66.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.136 0.493 . . . . 0.0 110.918 176.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.507 ' HB2' HG13 ' A' ' 76' ' ' ILE . 47.2 m-85 -93.68 3.9 54.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.775 -176.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.36 17.59 79.75 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.605 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.507 HG13 ' HB2' ' A' ' 74' ' ' TYR . 64.7 mt -66.7 135.74 27.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.025 0.441 . . . . 0.0 111.35 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.4 t -129.83 -174.18 3.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.64 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -69.12 152.09 45.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.686 0.279 . . . . 0.0 110.94 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.5 t80 71.47 15.5 6.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.673 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.3 p -75.6 141.87 42.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.954 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.498 ' CD ' ' HZ1' ' A' ' 21' ' ' LYS . 36.4 tt0 -101.79 109.43 21.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.147 0.498 . . . . 0.0 110.352 179.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.9 mm -92.88 113.87 28.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.562 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -88.07 119.72 35.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.625 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.19 108.82 24.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.07 0.462 . . . . 0.0 110.994 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.527 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 45.1 m-85 -96.73 133.22 41.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.596 174.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.52 HD22 HG23 ' A' ' 50' ' ' THR . 22.8 mt -96.09 141.01 29.98 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.656 -176.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.515 ' HB3' ' NZ ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.96 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.586 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.8 pt -98.45 148.39 6.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-O 121.424 0.631 . . . . 0.0 111.795 -169.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -91.91 109.79 21.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.836 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -99.84 133.98 40.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -92.73 109.78 21.21 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -92.58 117.25 35.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.561 -176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -99.71 105.64 17.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.242 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -99.25 154.24 37.4 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.056 174.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.28 -18.46 52.56 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.619 2.213 . . . . 0.0 111.877 174.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.9 m -85.05 -67.46 0.8 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.215 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.64 174.51 11.37 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.956 0.408 . . . . 0.0 110.759 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -110.81 139.99 45.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.55 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -154.17 164.21 38.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.622 0.249 . . . . 0.0 110.417 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -110.05 140.86 43.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.836 0.351 . . . . 0.0 110.386 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.4 t -125.41 143.49 38.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -98.11 117.42 32.43 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 121.134 0.492 . . . . 0.0 110.53 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.641 HG11 HD13 ' A' ' 40' ' ' LEU . 26.1 m -128.64 159.31 40.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.502 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.428 ' HA ' ' HG3' ' A' ' 15' ' ' LYS . 8.5 t70 -69.44 146.39 52.03 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -75.27 -14.76 60.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.883 0.373 . . . . 0.0 111.117 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.5 p -103.81 14.57 30.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.359 0.599 . . . . 0.0 110.295 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 10.3 tt0 -75.14 152.03 38.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.211 -176.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 24.9 p -89.88 159.51 16.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.536 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 57.9 t -63.64 -34.32 67.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.084 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.533 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 9.3 t -65.91 -33.91 76.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.477 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.1 t -79.32 -24.13 43.02 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.641 HD13 HG11 ' A' ' 31' ' ' VAL . 15.7 tp -69.79 -52.61 23.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.944 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HB3' HG21 ' A' ' 52' ' ' ILE . 94.9 mttt -62.03 -30.25 70.84 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.056 176.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' HG13 ' A' ' 46' ' ' ILE . 23.3 t70 -60.08 -50.5 73.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.937 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.487 ' HD2' HG13 ' A' ' 31' ' ' VAL . 58.9 mttp -64.69 -41.41 96.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.3 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.4 mt -61.0 -33.88 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.481 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.4 ' CE1' ' HA ' ' A' ' 51' ' ' PRO . 79.6 t60 -69.62 -30.41 68.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.122 177.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 42' ' ' ASP . 74.8 mt -77.58 -36.15 22.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.978 0.418 . . . . 0.0 110.771 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.1 t -81.51 -51.58 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -95.88 154.19 17.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.419 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.47 52.07 2.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.006 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.8 m -137.6 120.81 11.49 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.1 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.4 ' HA ' ' CE1' ' A' ' 45' ' ' HIS . 32.5 Cg_exo -62.21 149.6 89.98 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.897 2.398 . . . . 0.0 111.844 174.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.43 HG21 ' HB3' ' A' ' 41' ' ' LYS . 68.5 mt -63.64 -29.49 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.332 0.586 . . . . 0.0 110.534 -177.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -73.63 -10.5 59.76 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.47 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -103.81 -22.26 13.55 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -178.692 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -115.23 145.57 42.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.971 0.415 . . . . 0.0 111.731 -174.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -123.57 141.29 52.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.762 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.8 mt -98.67 134.23 41.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.787 0.327 . . . . 0.0 110.772 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -122.24 129.37 52.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.673 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -129.43 116.88 19.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.172 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.6 t 61.85 27.89 17.03 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.486 0.66 . . . . 0.0 110.189 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.1 -15.58 60.66 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.11 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 61.8 mt -80.62 126.6 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.623 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -79.1 116.33 19.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.472 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.9 mt -79.27 74.74 5.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.368 0.604 . . . . 0.0 110.673 -176.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.4 -24.01 22.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.081 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.493 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 70.2 m-20 -78.89 94.11 5.15 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 177.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.536 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 33.4 m-20 -71.12 -32.56 69.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.245 0.545 . . . . 0.0 110.947 -177.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -72.04 -19.42 61.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.429 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -72.98 153.62 40.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.084 0.469 . . . . 0.0 111.511 -177.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.547 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 3.9 m-20 -89.7 154.75 19.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.772 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.615 HD13 HD12 ' A' ' 40' ' ' LEU . 55.9 mt -64.03 -39.24 93.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.913 0.387 . . . . 0.0 110.823 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -61.52 -27.49 68.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.491 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.547 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 38.4 mt-10 -65.48 -35.87 82.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.614 0.245 . . . . 0.0 110.91 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.493 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 98.1 m-85 -77.17 -28.1 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.33 0.586 . . . . 0.0 109.93 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.26 9.79 28.86 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.274 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.609 ' HB ' ' HB3' ' A' ' 71' ' ' LEU . 62.6 mt -64.92 124.35 19.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.84 0.353 . . . . 0.0 110.218 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.3 t -144.21 -162.86 1.56 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.55 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -55.36 128.46 34.32 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.388 0.675 . . . . 0.0 111.389 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 68.88 31.27 4.37 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.725 0.641 . . . . 0.0 112.262 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.2 p -81.63 141.14 33.95 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 174.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -93.77 120.38 33.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.052 0.453 . . . . 0.0 110.51 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.7 mm -110.49 113.91 45.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.789 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.6 t -97.32 127.25 49.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.306 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 56.8 t -104.98 112.04 36.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.977 0.418 . . . . 0.0 110.915 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -101.82 137.65 39.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.781 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.0 mt -99.49 119.76 38.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.741 0.781 . . . . 0.0 110.717 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? . . . . . 0 C--N 1.317 -0.84 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.077 -177.526 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.8 pt -97.52 145.86 8.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.347 0.594 . . . . 0.0 111.452 -171.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.638 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 73.7 m80 -98.94 102.68 14.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.3 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.1 m -86.74 134.85 26.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.062 0.458 . . . . 0.0 110.538 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.484 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 29.1 m -90.85 110.03 21.24 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.1 t -92.67 112.06 25.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.932 0.396 . . . . 0.0 110.211 -176.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.617 ' HE2' ' HB3' ' A' ' 81' ' ' GLU . 66.8 mttm -97.81 108.8 21.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.272 -177.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -101.5 154.4 37.27 Favored Pre-proline 0 C--N 1.319 -0.756 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 172.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.4 -15.01 45.77 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.505 2.137 . . . . 0.0 112.526 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.5 m -116.88 -11.3 10.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -165.79 173.28 10.81 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.841 0.353 . . . . 0.0 110.927 -176.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.495 ' OE1' ' HG2' ' A' ' 21' ' ' LYS . 29.8 tt0 -148.48 126.7 12.17 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -141.14 175.23 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.313 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -118.38 143.58 46.54 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.1 t -125.6 136.21 61.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.638 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 46.2 mt-10 -93.22 113.67 25.94 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.577 0.703 . . . . 0.0 110.369 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.599 HG11 HD11 ' A' ' 40' ' ' LEU . 28.3 m -131.45 148.53 32.67 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.833 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -68.99 161.1 29.67 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.195 0.521 . . . . 0.0 110.965 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HE ' ' HB2' ' A' ' 33' ' ' ARG . 7.5 ttm180 -73.53 -26.43 60.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.405 0.621 . . . . 0.0 110.242 -177.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.3 p -99.33 13.85 31.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.522 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.12 143.09 54.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.864 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.0 p -78.86 152.18 31.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.747 0.308 . . . . 0.0 110.537 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.527 HG11 ' HE3' ' A' ' 41' ' ' LYS . 22.0 t -60.71 -32.96 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.07 0.462 . . . . 0.0 110.107 177.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 2.2 t -69.2 -31.8 70.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.271 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.1 t -79.17 -30.39 43.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.692 HD23 HD12 ' A' ' 57' ' ' LEU . 20.5 tp -59.1 -52.45 65.67 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.336 173.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.527 ' HE3' HG11 ' A' ' 37' ' ' VAL . 87.8 mttt -56.62 -45.59 81.41 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.966 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.489 ' O ' HG13 ' A' ' 46' ' ' ILE . 33.5 t70 -62.14 -45.02 95.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.022 -176.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -64.7 -40.35 95.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.412 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 40' ' ' LEU . 77.4 mt -63.63 -37.04 78.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.891 0.377 . . . . 0.0 110.2 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -64.29 -28.68 69.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.993 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.5 mt -75.42 -31.66 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.962 0.41 . . . . 0.0 110.332 177.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.2 t -82.23 -54.48 9.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.114 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.8 153.69 18.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.686 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -83.64 -1.93 55.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.828 0.347 . . . . 0.0 111.54 -175.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.463 HG21 ' HD3' ' A' ' 54' ' ' ARG . 97.6 m -73.27 126.23 90.31 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.139 0.495 . . . . 0.0 111.676 -178.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HG2' ' HB2' ' A' ' 54' ' ' ARG . 8.7 Cg_endo -55.33 148.47 50.96 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.072 2.515 . . . . 0.0 112.334 173.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.61 -25.85 37.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.78 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -75.74 -23.23 56.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.829 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.545 ' HB2' ' HG2' ' A' ' 51' ' ' PRO . 36.7 ttt180 -88.53 -29.46 20.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.006 -174.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.407 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 25.8 ptt? -106.78 134.8 49.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.008 -175.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.546 HE21 ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -119.14 133.16 55.94 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.948 178.685 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.692 HD12 HD23 ' A' ' 40' ' ' LEU . 22.3 mt -86.27 131.82 34.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.5 -176.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.545 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 59.5 m-85 -128.78 123.59 33.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.032 0.444 . . . . 0.0 110.901 176.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -107.21 126.76 52.83 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 174.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.4 p 55.59 -95.85 0.06 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.826 0.704 . . . . 0.0 110.835 -173.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -133.98 24.01 3.66 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.65 132.43 71.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.275 -0.463 . . . . 0.0 110.311 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.545 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -83.23 140.32 32.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.277 0.56 . . . . 0.0 110.818 -179.542 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.611 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 49.7 mt -93.61 73.39 4.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.052 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.52 -30.05 37.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.429 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.76 156.97 31.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.628 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.54 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 24.6 m-20 -114.68 -33.72 5.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.986 176.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -79.07 -14.24 59.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.856 -176.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 37' ' ' VAL . 2.5 mmp_? -77.19 153.56 33.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.983 0.421 . . . . 0.0 110.96 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -102.63 150.87 23.0 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.333 175.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.671 HD13 HD13 ' A' ' 40' ' ' LEU . 75.7 mt -59.21 -38.97 81.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.751 -176.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -62.6 -28.13 69.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.53 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -67.37 -26.87 66.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.935 0.397 . . . . 0.0 110.81 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -83.58 -6.36 59.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.832 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.57 21.91 52.33 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.512 -176.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.1 mt -79.36 137.44 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.347 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.4 t -138.46 -171.01 2.95 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.329 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -54.58 128.96 34.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 122.986 0.514 . . . . 0.0 111.598 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.531 ' HA ' ' O ' ' A' ' 17' ' ' HIS . 33.5 m-85 57.41 59.59 3.25 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.202 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.1 p -94.54 131.31 40.41 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.588 170.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.617 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 51.4 mt-10 -84.63 117.6 23.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.168 0.509 . . . . 0.0 110.544 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.4 mm -104.12 117.27 49.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.658 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.472 HG21 ' HD2' ' A' ' 21' ' ' LYS . 33.3 t -89.34 119.75 36.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 61.8 t -102.34 106.89 20.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.104 0.478 . . . . 0.0 110.645 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.494 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 67.8 m-85 -90.88 130.53 36.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.599 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.8 mt -97.19 143.51 27.92 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.878 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt . . . . . 0 C--N 1.319 -0.741 0 CA-C-O 121.725 0.774 . . . . 0.0 109.917 179.388 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 121.254 0.55 . . . . 0.0 111.931 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.476 HG21 ' HG2' ' A' ' 33' ' ' ARG . 9.2 pt -110.5 154.28 12.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.16 170.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.464 ' H ' ' CB ' ' A' ' 78' ' ' GLU . 0.3 OUTLIER -98.02 84.92 3.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.161 0.505 . . . . 0.0 109.791 -176.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.6 m -83.33 138.43 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.84 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.0 m -94.81 110.13 22.03 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.999 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.5 113.94 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.015 0.436 . . . . 0.0 110.046 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.525 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 49.8 mtpt -102.38 99.25 9.3 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.042 -176.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.559 ' HE2' HG21 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -99.58 149.98 36.38 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.098 178.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.503 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 34.5 Cg_exo -59.24 -24.95 76.41 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.321 2.014 . . . . 0.0 111.454 173.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.1 p -80.51 -68.92 0.64 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.332 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -137.4 175.73 9.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.139 0.495 . . . . 0.0 111.061 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -122.11 131.31 53.9 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.604 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -147.75 151.1 35.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.0 110.914 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.51 135.92 44.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.125 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -123.87 144.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.627 0.251 . . . . 0.0 110.712 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -91.46 106.4 18.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.087 0.47 . . . . 0.0 110.32 172.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.531 HG12 ' HE2' ' A' ' 43' ' ' LYS . 22.9 m -123.11 149.01 26.77 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.537 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 27.7 t70 -73.71 164.1 27.09 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.276 -0.569 . . . . 0.0 110.494 -178.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HG2' HG21 ' A' ' 16' ' ' ILE . 40.1 mtt-85 -74.76 -23.97 58.62 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.781 -176.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.7 p -97.64 13.67 29.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.932 0.396 . . . . 0.0 110.904 177.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.68 143.86 53.31 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.545 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.7 p -88.74 158.97 18.0 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.528 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.6 HG11 HD13 ' A' ' 57' ' ' LEU . 93.2 t -59.53 -37.02 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.475 177.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.542 ' OG ' ' HB3' ' A' ' 67' ' ' ASP . 46.3 m -62.75 -44.27 96.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.479 177.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.4 m -79.2 -23.27 43.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.842 0.353 . . . . 0.0 110.287 -175.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.886 HD22 HD12 ' A' ' 57' ' ' LEU . 16.5 tp -64.31 -48.49 75.42 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 173.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.572 ' HG3' HD11 ' A' ' 57' ' ' LEU . 51.7 mtmt -67.13 -32.91 74.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.578 177.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.47 ' O ' HG13 ' A' ' 46' ' ' ILE . 22.9 t70 -63.49 -45.42 90.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.971 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.531 ' HE2' HG12 ' A' ' 31' ' ' VAL . 2.7 tptt -55.41 -48.94 73.61 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.528 176.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.559 HG21 ' HE2' ' A' ' 22' ' ' PHE . 75.9 mt -62.15 -42.11 93.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.175 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -62.68 -30.8 71.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.767 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 42' ' ' ASP . 85.2 mt -68.67 -33.41 59.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.905 0.384 . . . . 0.0 110.786 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.5 t -85.21 -51.69 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.153 0.502 . . . . 0.0 110.825 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -83.85 -175.15 5.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.676 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -110.46 -18.8 13.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.188 0.518 . . . . 0.0 110.203 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.1 m -67.33 125.64 91.38 Favored Pre-proline 0 N--CA 1.449 -0.496 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.86 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.755 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 38.6 Cg_exo -58.31 147.73 83.17 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.233 2.622 . . . . 0.0 112.018 173.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.519 ' HA ' ' HE3' ' A' ' 55' ' ' MET . 70.2 mt -59.64 -37.61 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.21 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.83 -21.28 66.36 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.755 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 3.8 mpt_? -97.22 -15.84 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.519 ' HE3' ' HA ' ' A' ' 52' ' ' ILE . 24.6 ptt? -115.31 137.72 51.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.851 0.358 . . . . 0.0 111.321 -174.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -121.46 146.62 46.73 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.886 HD12 HD22 ' A' ' 40' ' ' LEU . 21.9 mt -91.33 133.52 35.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.683 -175.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.601 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 29.0 m-85 -125.27 127.53 46.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.97 0.414 . . . . 0.0 110.579 176.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -130.63 114.18 15.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.493 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.5 m 59.81 32.4 21.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.598 175.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.36 -2.59 83.38 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.9 mt -106.11 121.77 58.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.601 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 19.5 pt-20 -81.74 132.95 35.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.447 0.641 . . . . 0.0 110.033 177.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 24.6 mt -86.97 85.15 7.24 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.139 -178.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.28 -35.82 18.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.671 -173.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -78.92 111.4 15.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.22 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.542 ' HB3' ' OG ' ' A' ' 38' ' ' SER . 1.6 m-20 -63.85 -40.3 96.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.364 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -70.75 -6.94 41.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.401 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -79.34 156.03 28.19 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.18 0.514 . . . . 0.0 111.643 -176.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.549 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 12.8 m120 -103.43 158.09 16.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.375 177.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.699 HD22 HD23 ' A' ' 40' ' ' LEU . 58.7 mt -66.82 -32.96 74.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.895 0.379 . . . . 0.0 111.387 -178.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -66.44 -27.65 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.628 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.549 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 8.7 mm-40 -65.06 -34.75 79.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.958 0.409 . . . . 0.0 110.553 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -86.69 -22.25 26.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.714 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.61 40.9 5.22 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.254 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.594 HD13 HD21 ' A' ' 71' ' ' LEU . 54.4 mt -88.09 130.98 36.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.721 0.296 . . . . 0.0 110.716 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.4 t -121.34 -172.94 2.51 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.39 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.464 ' CB ' ' H ' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -81.77 27.96 0.43 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.043 0.449 . . . . 0.0 112.141 -174.799 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -141.25 25.29 2.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.525 0.679 . . . . 0.0 109.332 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.1 p -92.22 140.94 29.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.185 -172.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -101.74 98.44 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.058 172.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.6 mm -84.48 99.85 7.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.464 0.649 . . . . 0.0 109.573 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.525 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 39.0 t -85.64 115.46 27.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.91 -176.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.469 HG12 ' CZ ' ' A' ' 22' ' ' PHE . 91.4 t -90.65 113.41 26.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.819 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.408 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 24.5 m-85 -102.83 129.16 49.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.665 176.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.4 mt -99.62 122.87 43.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.932 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 C--N 1.322 -0.627 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.909 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.8 pt -99.74 147.24 7.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.067 -175.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.655 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 72.0 m80 -93.46 99.29 11.8 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.807 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -89.06 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.019 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 m -94.32 109.88 21.68 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.943 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.21 119.61 47.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.918 0.39 . . . . 0.0 110.541 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.66 ' HE2' HG21 ' A' ' 83' ' ' VAL . 38.7 mtmt -107.73 113.02 25.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.391 -178.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -96.1 160.42 29.97 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 171.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.51 -1.35 3.82 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 122.427 2.085 . . . . 0.0 112.117 177.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.4 m -108.81 -58.45 2.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.81 173.95 12.32 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.806 0.336 . . . . 0.0 111.261 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.467 HE21 ' HG2' ' A' ' 21' ' ' LYS . 34.5 tt0 -118.74 141.11 48.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.44 -177.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -150.64 173.77 13.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.274 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 m -117.11 142.43 47.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.613 0.244 . . . . 0.0 110.547 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.0 t -125.98 141.25 46.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.16 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.655 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 48.9 mt-10 -90.51 111.55 22.87 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.084 0.468 . . . . 0.0 110.28 175.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.501 HG13 ' HG3' ' A' ' 43' ' ' LYS . 35.7 m -130.59 149.35 33.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.86 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -67.2 152.69 45.28 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.328 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -70.94 -32.23 69.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.415 0.626 . . . . 0.0 109.552 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.5 p -91.67 11.16 25.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.289 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.542 ' HG3' ' HB3' ' A' ' 39' ' ' SER . 4.9 tp10 -66.9 139.99 57.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.914 176.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.7 p -83.47 156.71 22.74 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.768 0.318 . . . . 0.0 111.078 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.1 t -56.99 -35.33 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.175 0.512 . . . . 0.0 110.878 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.9 p -71.25 -29.27 64.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.882 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.542 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 8.5 t -80.35 -28.48 38.04 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.7 HD22 HD11 ' A' ' 57' ' ' LEU . 21.8 tp -61.42 -47.46 85.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.5 174.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.484 ' HB3' HG23 ' A' ' 52' ' ' ILE . 90.5 mttt -58.11 -40.82 82.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.357 175.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' HG13 ' A' ' 46' ' ' ILE . 17.7 t70 -58.14 -46.66 85.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.6 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.501 ' HG3' HG13 ' A' ' 31' ' ' VAL . 72.6 mmtt -57.07 -51.1 70.61 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.608 177.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.96 -33.88 60.3 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.122 -177.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -69.87 -29.53 66.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.762 0.315 . . . . 0.0 111.071 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 42' ' ' ASP . 74.2 mt -76.89 -37.18 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.189 0.518 . . . . 0.0 110.464 177.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.3 t -79.6 -53.76 12.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.182 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.14 171.64 9.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.771 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -98.99 4.39 47.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.217 0.532 . . . . 0.0 110.29 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.9 m -78.51 124.43 85.41 Favored Pre-proline 0 N--CA 1.445 -0.684 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.185 -177.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.75 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 31.9 Cg_exo -60.64 139.2 84.57 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.643 2.229 . . . . 0.0 111.112 171.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.535 ' HA ' ' HE3' ' A' ' 55' ' ' MET . 61.4 mt -57.49 -35.51 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.533 -177.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -71.11 -10.19 59.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.143 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.75 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 2.9 mpt_? -96.76 -24.71 15.81 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -176.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.535 ' HE3' ' HA ' ' A' ' 52' ' ' ILE . 23.4 ptt? -110.93 138.11 47.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.33 0.586 . . . . 0.0 112.408 -170.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -111.18 140.37 45.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.721 177.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.7 HD11 HD22 ' A' ' 40' ' ' LEU . 58.4 mt -101.85 129.89 48.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.049 -175.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -126.82 121.64 32.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.002 0.43 . . . . 0.0 111.043 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.416 ' O ' HG12 ' A' ' 62' ' ' ILE . 39.9 t80 -104.32 104.38 14.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.084 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.7 m 62.36 8.95 3.03 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.878 0.37 . . . . 0.0 111.71 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.16 -16.89 11.77 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.79 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 59' ' ' TYR . 12.9 mm -77.9 115.14 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.86 117.16 13.11 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.73 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.478 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 41.0 mt -79.26 82.32 5.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.535 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.68 6.69 34.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.402 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -107.71 91.19 3.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.28 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -61.36 -28.39 69.19 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -176.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -86.17 3.0 44.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.913 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -95.94 151.72 19.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.133 0.492 . . . . 0.0 111.254 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.531 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 3.9 m-20 -88.13 152.25 22.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.97 174.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.546 HD13 HD11 ' A' ' 40' ' ' LEU . 67.8 mt -58.04 -37.28 74.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.65 0.738 . . . . 0.0 109.523 176.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -56.08 -29.51 60.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.362 176.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.531 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 9.8 mm-40 -66.27 -36.52 83.2 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.54 -178.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.441 ' HB2' HG13 ' A' ' 76' ' ' ILE . 98.4 m-85 -80.27 -11.59 59.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.39 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.47 24.01 37.89 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.855 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.441 HG13 ' HB2' ' A' ' 74' ' ' TYR . 58.4 mt -69.83 118.21 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.027 0.442 . . . . 0.0 110.96 -177.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.9 t -109.74 -168.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.934 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -75.95 146.34 39.7 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.299 -0.251 . . . . 0.0 110.36 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 64.21 23.31 13.09 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.342 -177.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.7 p -68.44 142.5 55.35 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.28 171.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -94.36 102.99 14.99 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.335 0.588 . . . . 0.0 110.613 -175.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.7 mm -93.85 107.41 19.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.649 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.66 HG21 ' HE2' ' A' ' 21' ' ' LYS . 12.9 t -89.3 120.16 37.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.216 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.43 112.36 37.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.012 0.434 . . . . 0.0 110.697 -178.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -105.36 137.5 43.07 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.549 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.5 mt -97.84 121.74 40.12 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 121.603 0.716 . . . . 0.0 109.113 -179.28 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.435 ' N ' ' HD2' ' A' ' 15' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.2 pt -99.41 149.47 5.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.538 -175.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.515 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 66.5 m80 -96.69 97.28 9.22 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.859 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.0 m -86.47 144.35 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.733 -177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 24.5 m -99.05 109.39 22.13 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.922 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -96.07 123.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.809 0.337 . . . . 0.0 110.658 -176.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -112.23 115.43 28.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.776 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.448 ' C ' ' H ' ' A' ' 24' ' ' SER . 15.2 m-85 -96.94 163.85 19.2 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 172.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.95 34.0 0.18 Allowed 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 122.993 2.462 . . . . 0.0 113.464 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . 0.448 ' H ' ' C ' ' A' ' 22' ' ' PHE . 75.7 m -162.37 -31.12 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.509 0.324 . . . . 0.0 111.524 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -149.2 172.21 15.2 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.136 0.493 . . . . 0.0 111.933 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -136.9 131.68 33.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.152 178.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -147.38 160.58 42.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.481 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -103.94 141.88 35.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.722 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -127.27 142.55 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.515 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 56.4 mt-10 -92.38 112.9 25.01 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.271 0.558 . . . . 0.0 110.683 176.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.554 HG13 HD13 ' A' ' 40' ' ' LEU . 20.9 m -128.98 156.96 41.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 CA-C-N 115.103 -0.953 . . . . 0.0 108.963 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -71.49 157.86 37.27 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 120.683 0.278 . . . . 0.0 110.334 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -74.32 -21.75 59.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.39 0.615 . . . . 0.0 110.282 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.4 p -100.29 14.33 31.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.13 176.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.58 138.55 57.68 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.133 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.2 p -82.13 150.5 27.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.56 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 87.5 t -57.72 -34.61 48.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.111 0.481 . . . . 0.0 110.649 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.524 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 25.8 t -63.14 -42.39 99.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.907 178.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 62.9 m -79.55 -21.55 45.0 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.658 HD12 HD11 ' A' ' 71' ' ' LEU . 20.8 tp -62.43 -51.83 65.96 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.521 ' HB3' HG23 ' A' ' 52' ' ' ILE . 96.4 mttt -63.49 -34.85 78.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.325 177.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.416 ' O ' HG13 ' A' ' 46' ' ' ILE . 25.5 t70 -60.45 -49.98 75.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.866 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.491 ' HA ' HD11 ' A' ' 46' ' ' ILE . 58.4 mttp -63.01 -37.94 89.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.181 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.9 mt -64.34 -38.05 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.459 176.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -62.87 -30.84 71.82 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 111.138 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' ' 43' ' ' LYS . 79.2 mt -68.68 -31.88 52.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.232 0.539 . . . . 0.0 110.35 178.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.3 t -78.79 -57.61 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.384 0.611 . . . . 0.0 110.317 173.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' A' ' 50' ' ' THR . 2.8 tp10 -113.18 129.78 56.41 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.876 -172.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.47 22.24 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.443 ' H ' ' C ' ' A' ' 48' ' ' GLU . 23.9 m -79.87 126.42 80.07 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-O 120.851 0.357 . . . . 0.0 110.254 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.559 ' HG2' ' HD2' ' A' ' 54' ' ' ARG . 52.6 Cg_exo -51.76 135.43 49.57 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 123.171 2.58 . . . . 0.0 112.611 175.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.521 HG23 ' HB3' ' A' ' 41' ' ' LYS . 95.7 mt -63.83 -36.57 77.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.864 -174.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -71.81 -16.67 62.18 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.559 ' HD2' ' HG2' ' A' ' 51' ' ' PRO . 80.3 mtt180 -95.92 -35.08 11.58 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -174.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -91.23 119.49 31.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.332 0.587 . . . . 0.0 110.711 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -104.3 137.59 41.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.867 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.411 HD11 HD22 ' A' ' 40' ' ' LEU . 59.3 mt -97.55 130.58 44.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.679 -176.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.412 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 76.0 m-85 -120.4 129.8 54.08 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.704 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' A' ' 80' ' ' SER . 47.3 t80 -122.32 118.2 27.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.306 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.8 m 66.65 -80.91 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 O-C-N 123.78 0.675 . . . . 0.0 110.608 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.32 15.3 1.29 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.9 mt -115.65 128.83 72.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.949 -0.626 . . . . 0.0 110.455 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -80.4 126.56 31.34 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.01 67.77 8.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.31 0.576 . . . . 0.0 109.837 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.54 -35.7 45.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.145 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.543 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 10.2 m-20 -79.66 103.69 9.74 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.56 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 22.2 m-20 -75.97 -23.28 55.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.087 -174.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -84.06 -5.97 59.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.656 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -92.71 161.67 14.46 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.151 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -94.52 152.84 18.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.284 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.658 HD11 HD12 ' A' ' 40' ' ' LEU . 55.4 mt -59.32 -39.86 84.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -175.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -62.54 -28.42 69.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.853 -0.158 . . . . 0.0 111.422 -176.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.35 -34.22 77.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.945 0.402 . . . . 0.0 110.939 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.543 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 91.7 m-85 -82.98 -4.97 58.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.378 179.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.55 12.7 62.39 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.246 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.429 ' HB ' ' HB3' ' A' ' 71' ' ' LEU . 49.7 mt -74.41 134.36 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.051 0.453 . . . . 0.0 110.705 -177.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -139.57 -164.95 1.78 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.829 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.59 140.3 53.77 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.6 t80 72.87 12.27 5.21 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.303 0.641 . . . . 0.0 110.626 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.525 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 58.5 m -73.67 129.83 38.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.939 173.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.405 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 35.4 tt0 -86.28 122.86 30.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.537 -176.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.4 115.79 50.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.773 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.3 t -94.24 126.29 46.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.015 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.8 t -99.64 105.23 17.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.184 0.516 . . . . 0.0 110.959 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.412 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 35.3 m-85 -98.43 122.26 41.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.238 176.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.91 121.38 29.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.056 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt . . . . . 0 C--N 1.323 -0.56 0 CA-C-O 121.264 0.554 . . . . 0.0 110.534 -179.46 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.448 ' HZ2' ' HB2' ' A' ' 32' ' ' ASP . 45.1 mmtt . . . . . 0 N--CA 1.445 -0.676 0 CA-C-O 121.137 0.494 . . . . 0.0 110.34 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.561 ' HB ' ' HA ' ' A' ' 78' ' ' GLU . 17.3 pt -121.05 151.68 24.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.892 -178.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.623 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 41.4 m80 -98.8 111.89 24.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.08 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -101.97 137.31 30.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -90.61 110.61 21.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.261 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.1 t -89.97 111.38 23.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.056 0.455 . . . . 0.0 110.407 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.738 ' HE2' ' HB3' ' A' ' 81' ' ' GLU . 67.7 mttm -92.56 95.62 9.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.199 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.486 ' HE2' HG23 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -103.29 142.88 25.49 Favored Pre-proline 0 C--N 1.317 -0.826 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.375 179.25 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -59.48 -19.85 53.85 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.398 2.065 . . . . 0.0 110.87 171.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.0 t -75.14 -69.83 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.636 174.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -152.83 174.63 13.82 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.422 175.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -112.3 127.19 55.92 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.012 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -147.51 159.1 44.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.499 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -105.76 140.31 38.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.052 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.11 141.53 43.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.248 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.623 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 51.5 mt-10 -89.58 117.15 28.26 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.214 0.531 . . . . 0.0 110.318 174.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.577 HG13 HD13 ' A' ' 40' ' ' LEU . 11.5 m -132.91 156.19 42.01 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.24 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.211 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.448 ' HB2' ' HZ2' ' A' ' 15' ' ' LYS . 10.3 t70 -76.24 160.26 29.84 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 175.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -73.42 -20.17 60.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.063 0.458 . . . . 0.0 110.259 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.4 p -100.81 14.77 30.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.355 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 17.1 tp10 -61.74 133.64 55.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.768 177.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -72.37 150.0 43.85 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.535 -179.304 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.549 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 92.7 t -57.51 -43.57 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.125 0.488 . . . . 0.0 110.716 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.421 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -69.42 -26.68 64.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.507 178.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 m -79.31 -29.6 42.46 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.746 HD23 HD22 ' A' ' 71' ' ' LEU . 18.1 tp -64.27 -49.98 69.74 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.185 173.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HB3' HG23 ' A' ' 52' ' ' ILE . 98.5 mttt -62.14 -37.17 84.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.683 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.484 ' O ' HG13 ' A' ' 46' ' ' ILE . 26.4 t70 -60.37 -48.33 82.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.377 178.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.485 ' CD ' HG12 ' A' ' 31' ' ' VAL . 49.4 mttp -59.68 -44.82 93.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.408 177.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.486 HG23 ' HE2' ' A' ' 22' ' ' PHE . 74.0 mt -63.26 -37.22 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.525 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -64.87 -29.58 70.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 111.059 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 42' ' ' ASP . 89.3 mt -74.93 -36.51 39.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.065 0.459 . . . . 0.0 110.918 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.8 t -80.07 -53.12 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.42 -177.81 6.29 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.968 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -116.3 20.91 13.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.406 0.622 . . . . 0.0 109.93 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.8 m -99.07 123.41 49.11 Favored Pre-proline 0 N--CA 1.444 -0.739 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.778 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.722 ' HG2' HH11 ' A' ' 54' ' ' ARG . 54.1 Cg_exo -52.67 143.79 45.31 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.577 2.851 . . . . 0.0 112.98 175.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.51 HG23 ' HB3' ' A' ' 41' ' ' LYS . 64.6 mt -61.08 -39.67 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.482 -177.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -73.15 -9.86 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.978 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.722 HH11 ' HG2' ' A' ' 51' ' ' PRO . 43.4 mtt180 -99.08 -34.99 10.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.793 0.33 . . . . 0.0 111.66 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.43 ' HE3' ' HA ' ' A' ' 52' ' ' ILE . 24.3 ptt? -94.1 125.68 38.88 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.21 0.529 . . . . 0.0 111.777 -177.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -107.78 134.76 50.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.616 176.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.424 HD11 HD22 ' A' ' 40' ' ' LEU . 54.3 mt -96.76 129.18 44.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.04 -174.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.483 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 35.2 m-85 -117.2 122.33 43.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.151 0.501 . . . . 0.0 110.979 176.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -104.7 105.52 15.64 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.84 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.2 m 61.59 22.22 12.74 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.398 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.6 -19.17 39.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.229 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 57.4 mt -85.8 123.38 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.483 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -83.03 132.49 35.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.443 0.64 . . . . 0.0 111.089 -176.617 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.6 mt -87.33 76.93 9.04 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.33 -14.17 27.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.029 -171.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -101.69 87.49 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.26 0.552 . . . . 0.0 110.27 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.549 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 0.7 OUTLIER -55.56 -26.14 41.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.882 -176.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -83.46 4.16 28.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -101.97 171.63 7.4 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 85.8 m-20 -107.66 164.34 12.32 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.746 HD22 HD23 ' A' ' 40' ' ' LEU . 63.9 mt -62.22 -34.11 75.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.671 -177.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -59.4 -27.73 66.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.319 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -67.54 -27.1 66.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.703 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -97.04 -7.56 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.72 34.21 25.51 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.096 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.629 HD13 HD21 ' A' ' 71' ' ' LEU . 43.5 mt -86.25 132.29 32.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.744 0.307 . . . . 0.0 110.485 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.7 t -130.19 -169.06 2.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.193 -177.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.561 ' HA ' ' HB ' ' A' ' 16' ' ' ILE . 42.1 tt0 -68.98 140.94 55.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.707 0.289 . . . . 0.0 111.071 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.2 t80 73.11 20.3 3.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.847 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.1 p -76.24 134.62 39.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.352 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.738 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 51.4 mt-10 -91.4 122.41 33.98 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.581 179.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.9 mm -106.29 119.59 55.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.806 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.61 HG21 ' HD2' ' A' ' 21' ' ' LYS . 46.1 t -93.55 122.45 45.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.6 t -100.55 111.24 29.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.064 0.459 . . . . 0.0 111.367 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.51 128.43 43.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.4 173.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.1 mt -90.37 127.46 36.19 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.061 0.457 . . . . 0.0 110.211 -178.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 87' ' ' LYS . 69.9 mmtt . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.253 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.525 ' HZ2' ' HB2' ' A' ' 15' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 121.163 0.506 . . . . 0.0 110.405 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.428 HG22 ' O ' ' A' ' 77' ' ' THR . 23.8 pt -98.49 156.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.037 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -89.52 97.55 11.26 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.165 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.9 m -87.41 145.22 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.073 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.574 ' HB ' ' HG2' ' A' ' 81' ' ' GLU . 60.0 m -104.87 113.28 26.78 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.521 -175.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.4 t -92.81 116.8 34.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.078 0.466 . . . . 0.0 110.938 -177.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -96.29 103.85 15.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.688 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -97.54 157.71 34.3 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -70.7 45.16 0.54 Allowed 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 123.056 2.504 . . . . 0.0 111.864 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.5 t -165.79 -67.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.804 -177.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -132.53 175.18 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.122 0.487 . . . . 0.0 110.791 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -125.89 128.78 48.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.954 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -138.51 156.41 47.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.845 0.355 . . . . 0.0 110.79 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.21 141.0 37.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.59 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.458 HG11 ' HB3' ' A' ' 43' ' ' LYS . 26.0 t -126.96 150.0 32.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.611 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -92.44 112.01 23.8 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.526 175.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.606 HG11 HD11 ' A' ' 40' ' ' LEU . 31.0 m -136.47 147.66 27.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.492 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 16.5 t70 -80.56 161.67 24.66 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.283 -178.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 33' ' ' ARG . 61.9 mtt180 -66.58 -25.47 66.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.018 0.437 . . . . 0.0 110.475 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.634 ' HA ' ' OD1' ' A' ' 70' ' ' ASN . 76.2 p -102.55 16.42 26.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.073 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.536 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 7.3 tp10 -74.38 152.61 39.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.143 175.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 p -90.81 160.84 15.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.646 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.431 HG11 ' HE3' ' A' ' 41' ' ' LYS . 59.3 t -66.26 -36.39 77.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.072 0.463 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -58.55 -39.81 81.28 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.148 177.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.608 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 22.7 m -79.81 -27.22 40.32 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.737 -176.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.606 HD11 HG11 ' A' ' 31' ' ' VAL . 23.9 tp -62.36 -49.25 76.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.931 176.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HB3' HG21 ' A' ' 52' ' ' ILE . 92.2 mttt -59.41 -39.59 83.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.598 177.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' HG13 ' A' ' 46' ' ' ILE . 20.3 t70 -57.8 -48.6 79.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.156 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 39' ' ' SER . 75.0 mmtt -56.1 -48.99 75.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.313 0.577 . . . . 0.0 110.519 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.3 mt -64.45 -38.5 82.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.182 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -64.75 -30.1 71.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 111.516 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 42' ' ' ASP . 84.1 mt -70.79 -30.99 44.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.143 0.497 . . . . 0.0 110.346 178.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 t -78.02 -56.46 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.354 0.597 . . . . 0.0 110.756 173.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -114.45 133.43 55.75 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.934 -171.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.41 HD21 ' N ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -75.4 9.22 2.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -171.874 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.453 HG21 HD23 ' A' ' 86' ' ' LEU . 14.5 m -65.42 123.66 84.99 Favored Pre-proline 0 N--CA 1.446 -0.636 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 175.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.475 ' HG2' ' HD2' ' A' ' 54' ' ' ARG . 52.2 Cg_exo -53.37 136.62 63.55 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.858 2.372 . . . . 0.0 112.128 175.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.446 HG21 ' HB3' ' A' ' 41' ' ' LYS . 64.4 mt -60.17 -35.53 62.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.736 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.89 -29.64 68.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.776 0.322 . . . . 0.0 111.509 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.475 ' HD2' ' HG2' ' A' ' 51' ' ' PRO . 43.6 mtt180 -80.98 -40.35 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.451 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.482 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 26.3 ptt? -90.91 117.43 29.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.341 0.591 . . . . 0.0 111.062 -176.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -101.45 132.92 46.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.958 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.6 mt -91.38 128.23 37.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.944 -175.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.497 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 74.9 m-85 -120.94 127.71 52.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.371 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.504 ' CE1' ' HB3' ' A' ' 80' ' ' SER . 62.0 t80 -116.88 112.75 21.5 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.345 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.8 m 60.09 21.83 11.05 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.886 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.06 -12.96 55.92 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.237 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.4 mt -91.35 125.77 44.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.42 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 12.6 pt-20 -81.52 134.38 35.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.126 0.488 . . . . 0.0 109.753 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.2 mt -82.98 70.29 9.95 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.351 0.596 . . . . 0.0 109.844 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.51 -35.53 68.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.357 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.421 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 61.5 m-20 -80.92 100.21 8.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.329 0.585 . . . . 0.0 110.371 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -70.02 -31.03 68.48 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.531 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -81.83 -9.21 59.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.738 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -80.93 168.85 18.26 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.401 0.62 . . . . 0.0 112.1 -175.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.634 ' OD1' ' HA ' ' A' ' 34' ' ' THR . 2.0 t-20 -94.25 158.42 15.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.208 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 80.6 mt -72.03 -44.76 62.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.743 -177.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 9.2 p30 -60.35 -27.77 67.64 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.772 0.32 . . . . 0.0 110.971 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -58.34 -32.91 68.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.54 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.421 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 95.3 m-85 -85.06 -9.15 58.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 111.156 -178.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.6 -0.86 30.66 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.218 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 72' ' ' ASN . 72.0 mt -67.42 130.79 33.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 177.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.428 ' O ' HG22 ' A' ' 16' ' ' ILE . 3.1 t -147.41 -36.65 0.22 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.817 -174.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -178.14 135.91 0.16 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.385 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 58.43 20.2 7.2 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.718 0.637 . . . . 0.0 111.4 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.504 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 2.8 m -65.13 131.09 45.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.946 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.574 ' HG2' ' HB ' ' A' ' 19' ' ' THR . 25.3 mt-10 -95.25 125.34 39.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.34 0.59 . . . . 0.0 110.79 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.0 mm -107.07 114.57 46.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.687 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.3 t -88.96 116.9 31.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.482 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 56.0 t -96.25 105.83 17.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.229 0.538 . . . . 0.0 110.973 -176.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.497 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 28.2 m-85 -94.74 121.66 36.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.931 176.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.453 HD23 HG21 ' A' ' 50' ' ' THR . 28.5 mt -83.63 119.14 24.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.795 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt . . . . . 0 C--N 1.32 -0.7 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.964 -175.891 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm . . . . . 0 N--CA 1.445 -0.703 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.5 pt -101.73 142.32 16.49 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-O 121.31 0.576 . . . . 0.0 110.11 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.641 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 69.8 m80 -97.44 98.74 10.2 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.226 -177.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 m -92.06 142.78 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.614 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.1 m -100.1 111.67 23.96 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.146 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.8 t -89.06 115.41 28.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.097 0.475 . . . . 0.0 110.752 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -90.02 102.55 15.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.841 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.592 ' CD1' ' HD2' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -114.15 147.79 38.63 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.685 178.709 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.592 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 40.3 Cg_endo -68.55 -13.88 38.35 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.3 2.0 . . . . 0.0 112.039 175.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 p -96.39 -30.85 13.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.429 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.698 ' HZ2' ' HB3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -170.18 174.82 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.423 -176.515 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -129.1 129.55 45.35 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -149.39 156.34 41.89 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.314 0.578 . . . . 0.0 111.383 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 m -104.65 136.96 43.22 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.263 177.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.61 135.79 58.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.641 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 47.1 mt-10 -90.31 108.64 19.89 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.409 0.623 . . . . 0.0 109.968 174.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.461 HG11 HD13 ' A' ' 40' ' ' LEU . 16.6 m -127.21 155.9 38.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.768 177.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.523 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 15.4 t0 -66.8 147.04 53.77 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.733 175.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -75.95 -25.1 55.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.098 0.475 . . . . 0.0 110.7 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.4 14.29 18.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.441 0.639 . . . . 0.0 110.635 175.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 22.6 tt0 -72.49 147.06 46.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.921 177.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 16.4 p -88.89 160.88 16.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.6 0.238 . . . . 0.0 111.122 -178.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.426 HG13 ' HE3' ' A' ' 41' ' ' LYS . 61.7 t -58.96 -34.36 52.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.059 0.457 . . . . 0.0 110.694 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.537 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 25.3 p -54.72 -47.77 73.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.443 176.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.52 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 23.0 m -75.78 -28.94 58.59 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.418 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.677 HD12 HD11 ' A' ' 71' ' ' LEU . 13.1 tp -62.01 -46.26 89.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.905 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HE3' HG13 ' A' ' 37' ' ' VAL . 95.9 mttt -59.45 -41.76 90.43 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.393 176.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' HG13 ' A' ' 46' ' ' ILE . 30.6 t70 -59.43 -45.89 90.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.785 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 39' ' ' SER . 35.0 mmtp -56.37 -51.5 68.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.866 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.15 -41.5 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.184 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -64.71 -29.15 70.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.568 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 42' ' ' ASP . 91.3 mt -73.57 -35.29 44.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.004 0.43 . . . . 0.0 110.446 178.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.7 t -80.39 -53.64 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.979 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.09 162.57 14.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.014 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -84.23 -22.8 30.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.976 0.417 . . . . 0.0 110.933 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.411 HG23 HD23 ' A' ' 86' ' ' LEU . 85.3 m -61.85 131.5 93.08 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.661 -177.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.713 ' HG2' ' HD3' ' A' ' 54' ' ' ARG . 56.6 Cg_endo -73.71 153.14 48.49 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.749 2.299 . . . . 0.0 112.405 178.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.8 mt -66.58 -24.07 32.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.524 0.678 . . . . 0.0 110.308 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -68.28 -19.1 64.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.055 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.713 ' HD3' ' HG2' ' A' ' 51' ' ' PRO . 8.9 mpt_? -106.76 -26.97 11.06 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.912 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.497 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 27.0 ptt? -96.93 134.89 39.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.219 0.533 . . . . 0.0 112.164 -173.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -115.73 141.93 47.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.067 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.4 mt -99.5 128.38 45.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.902 0.382 . . . . 0.0 111.363 -174.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.412 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 94.6 m-85 -127.76 126.98 42.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.224 176.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -112.56 105.67 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.724 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.0 m 61.65 27.05 16.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.419 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.18 -25.31 28.72 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.835 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.5 mt -80.73 120.01 31.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.908 0.385 . . . . 0.0 110.349 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -75.21 140.32 43.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.071 176.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.1 mt -88.05 88.19 7.57 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.18 -28.39 38.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.781 -172.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.402 ' HB2' ' HD3' ' A' ' 69' ' ' ARG . 26.5 m-20 -100.56 108.13 19.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.323 0.582 . . . . 0.0 110.617 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.537 ' OD2' ' HB3' ' A' ' 38' ' ' SER . 22.0 t70 -66.47 -30.93 71.38 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.751 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -84.31 -8.36 59.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.385 -173.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.402 ' HD3' ' HB2' ' A' ' 66' ' ' ASP . 74.8 mtp180 -83.07 156.33 23.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.257 0.551 . . . . 0.0 110.816 -178.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.545 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 8.2 m120 -86.52 154.16 21.3 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.937 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.677 HD11 HD12 ' A' ' 40' ' ' LEU . 41.5 mt -59.05 -35.19 72.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.729 0.776 . . . . 0.0 109.101 173.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -57.27 -34.19 68.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.726 175.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.528 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 23.4 mm-40 -65.28 -47.38 76.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.1 0.476 . . . . 0.0 110.081 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -71.81 -23.02 61.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.528 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.33 33.16 7.35 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.82 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.497 HD13 HD21 ' A' ' 71' ' ' LEU . 52.4 mt -77.94 119.69 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.087 0.47 . . . . 0.0 110.612 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.5 t -104.35 -174.37 2.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.227 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.491 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 39.1 tt0 -76.84 148.83 36.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.453 0.168 . . . . 0.0 110.695 -179.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.491 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 37.4 m-85 69.63 20.65 6.93 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.7 0.625 . . . . 0.0 111.066 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 p -74.19 132.95 42.67 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.95 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -92.36 106.24 18.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.165 0.507 . . . . 0.0 110.081 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.8 mm -89.94 115.94 30.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.518 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.4 t -92.79 117.29 35.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.692 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.497 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 45.0 t -101.27 110.02 27.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.515 -178.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.66 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 44.5 m-85 -94.91 121.14 36.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.22 178.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.447 HD21 ' CE1' ' A' ' 22' ' ' PHE . 26.6 mt -84.58 115.0 22.38 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.419 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.66 ' HE3' ' HB3' ' A' ' 85' ' ' PHE . 29.8 mmtp . . . . . 0 C--N 1.32 -0.715 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 3.4 mppt? . . . . . 0 CA--C 1.508 -0.66 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.66 HG23 ' O ' ' A' ' 77' ' ' THR . 27.9 pt -92.1 145.78 7.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.107 -170.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.614 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 43.5 m80 -88.93 95.39 10.29 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.737 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -85.03 141.24 14.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.281 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -95.3 109.7 21.8 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.82 118.5 34.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.955 0.407 . . . . 0.0 110.48 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.58 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 35.1 mmtp -96.07 96.95 9.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.659 -178.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -96.48 152.94 38.96 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.863 174.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -60.26 -23.06 73.01 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.462 2.108 . . . . 0.0 112.006 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.4 m -84.52 -61.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.05 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.04 173.75 13.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 110.669 -176.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.52 ' OE1' ' HE2' ' A' ' 21' ' ' LYS . 14.8 tt0 -111.62 133.18 54.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.055 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -146.09 166.24 26.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.656 0.265 . . . . 0.0 110.364 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.459 HG22 ' HB3' ' A' ' 17' ' ' HIS . 3.2 m -111.18 145.2 39.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.548 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 36.2 t -129.57 141.5 46.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.832 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.614 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 56.6 mt-10 -90.47 109.77 20.89 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.068 0.461 . . . . 0.0 110.016 176.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.2 m -128.69 147.09 33.18 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.83 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -71.9 147.76 46.74 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -72.38 -21.41 61.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.29 0.567 . . . . 0.0 110.533 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.33 14.2 23.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.822 175.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.526 ' HG3' ' HB3' ' A' ' 39' ' ' SER . 5.6 tp10 -69.43 151.3 46.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.386 175.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.4 p -90.15 161.02 15.96 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.448 HG22 ' HH ' ' A' ' 74' ' ' TYR . 48.1 t -64.31 -33.93 65.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.191 0.519 . . . . 0.0 110.087 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.433 ' HB3' ' CG ' ' A' ' 67' ' ' ASP . 14.1 p -62.0 -38.93 90.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.812 176.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.526 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 17.9 t -79.69 -25.64 41.16 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -176.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.835 HD22 HD12 ' A' ' 57' ' ' LEU . 19.3 tp -66.77 -52.41 44.47 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.57 176.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.535 ' HB3' HG23 ' A' ' 52' ' ' ILE . 76.6 mttt -61.77 -36.49 81.2 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.444 176.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.456 ' O ' HG13 ' A' ' 46' ' ' ILE . 25.9 t70 -58.38 -47.67 83.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.743 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -64.09 -46.21 85.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.507 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.2 mt -59.57 -36.05 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.637 176.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -66.36 -30.7 71.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.588 0.233 . . . . 0.0 111.218 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 42' ' ' ASP . 83.2 mt -73.34 -47.59 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.046 0.45 . . . . 0.0 110.284 178.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.4 -52.06 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.291 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -91.31 -169.5 2.34 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.77 -173.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -122.1 19.7 10.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.584 0.707 . . . . 0.0 110.346 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.493 HG21 ' HB3' ' A' ' 55' ' ' MET . 13.1 m -102.33 131.21 22.78 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.111 -177.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -57.12 139.94 91.35 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 123.01 2.474 . . . . 0.0 111.582 171.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.535 HG23 ' HB3' ' A' ' 41' ' ' LYS . 33.5 mt -57.23 -36.56 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.347 -174.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -85.68 -10.2 56.06 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -175.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -92.86 -26.1 17.79 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.217 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.493 ' HB3' HG21 ' A' ' 50' ' ' THR . 23.5 ptt? -98.71 124.89 43.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.131 0.491 . . . . 0.0 110.79 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.457 ' HG3' ' HE3' ' A' ' 87' ' ' LYS . 15.2 mm100 -107.7 145.85 32.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.606 -178.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.835 HD12 HD22 ' A' ' 40' ' ' LEU . 55.0 mt -107.98 129.07 55.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -175.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.469 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 87.3 m-85 -128.84 137.62 51.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.053 0.454 . . . . 0.0 110.674 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -126.13 107.72 10.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.223 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.3 m 57.79 29.78 17.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.53 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.01 -14.38 62.71 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.451 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.5 mt -83.71 127.6 39.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -82.28 120.62 25.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.543 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.0 mt -83.81 81.62 8.68 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.0 -29.89 13.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.122 -174.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -73.01 107.37 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.815 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.433 ' CG ' ' HB3' ' A' ' 38' ' ' SER . 17.8 t70 -62.33 -40.69 97.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.231 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -77.12 -12.66 59.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.24 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -80.16 156.24 27.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -173.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.513 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 12.1 m120 -97.25 151.77 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.461 177.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.626 HD11 HD11 ' A' ' 40' ' ' LEU . 78.6 mt -57.83 -47.21 83.31 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -174.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -59.63 -27.47 66.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.59 -176.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.513 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 30.2 mt-10 -65.22 -21.63 66.77 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.691 0.281 . . . . 0.0 111.196 -178.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.448 ' HH ' HG22 ' A' ' 37' ' ' VAL . 95.9 m-85 -86.06 -13.38 47.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.976 0.417 . . . . 0.0 110.353 176.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.78 8.4 30.18 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.95 -176.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.6 mt -74.2 109.69 7.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.057 0.456 . . . . 0.0 110.508 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.66 ' O ' HG23 ' A' ' 16' ' ' ILE . 3.3 t -99.58 -59.8 1.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.711 -177.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.45 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 38.7 tt0 -176.81 154.02 1.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -176.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.45 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 52.3 m-85 57.98 22.24 8.62 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.217 0.532 . . . . 0.0 111.288 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.3 p -72.22 130.03 39.84 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.261 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -91.89 94.64 9.4 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.912 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.1 mm -80.96 115.81 24.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.608 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.58 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 12.3 t -87.11 120.71 36.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.948 -177.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.1 t -100.74 105.81 18.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.341 0.591 . . . . 0.0 110.556 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.469 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 60.9 m-85 -92.06 123.57 35.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.856 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.472 HD23 HG21 ' A' ' 50' ' ' THR . 44.3 mt -97.69 123.17 41.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.814 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.457 ' HE3' ' HG3' ' A' ' 56' ' ' GLN . 3.7 mptp? . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.847 -171.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.602 ' HA ' ' HG3' ' A' ' 78' ' ' GLU . 29.0 pt -83.51 143.87 11.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-O 121.692 0.758 . . . . 0.0 111.595 -169.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.451 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 52.4 m80 -88.13 98.24 11.44 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.789 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 m -92.81 131.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.07 0.462 . . . . 0.0 110.427 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.8 m -85.55 110.33 19.15 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.857 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -91.28 107.95 19.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.108 0.48 . . . . 0.0 109.899 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.51 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 50.4 mtpt -99.05 104.42 16.44 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.354 -177.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -95.31 156.48 37.63 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.607 173.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.92 -18.32 61.93 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.372 2.048 . . . . 0.0 111.435 173.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.1 m -104.17 -21.92 13.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.277 -175.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -168.44 172.67 8.13 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.623 0.249 . . . . 0.0 110.986 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -137.83 131.19 30.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.222 176.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -150.91 163.81 37.81 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -108.36 142.91 37.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.681 0.277 . . . . 0.0 110.481 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.4 t -123.67 137.55 56.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 53.6 mt-10 -91.46 102.98 15.66 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.56 0.695 . . . . 0.0 110.094 176.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.437 HG11 HD12 ' A' ' 40' ' ' LEU . 35.3 m -119.49 145.7 25.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.841 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.66 144.94 46.51 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.442 ' HB3' HG21 ' A' ' 16' ' ' ILE . 17.8 ptp180 -69.76 -21.69 63.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.835 0.35 . . . . 0.0 110.75 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.578 ' HA ' ' OD1' ' A' ' 72' ' ' ASN . 45.5 p -96.37 14.9 22.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.624 177.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -70.6 149.86 46.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.185 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 p -88.21 152.1 22.21 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.541 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 87.6 t -56.04 -37.7 49.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 121.014 0.435 . . . . 0.0 110.605 177.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.547 ' HB3' ' HB3' ' A' ' 67' ' ' ASP . 12.3 p -59.21 -44.88 92.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.945 177.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 26.9 m -79.18 -24.68 43.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.172 -176.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.683 HD21 HD22 ' A' ' 71' ' ' LEU . 17.0 tp -62.05 -43.12 99.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.251 173.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HD3' HG21 ' A' ' 52' ' ' ILE . 99.3 mttt -65.89 -34.2 77.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.595 176.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 46' ' ' ILE . 12.3 m-20 -61.78 -42.9 99.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.468 176.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 39' ' ' SER . 74.3 mmtt -56.04 -50.55 70.63 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.306 0.574 . . . . 0.0 110.143 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.71 -40.35 88.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.135 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -64.23 -30.77 71.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.312 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 42' ' ' ASP . 99.5 mt -74.75 -38.15 44.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.974 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.7 t -82.93 -54.7 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.225 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -98.72 153.46 18.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.114 0.483 . . . . 0.0 111.445 -176.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -87.13 78.41 8.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.508 0.671 . . . . 0.0 109.475 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.9 m -147.85 123.38 5.24 Favored Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.721 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.01 136.22 64.06 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.736 2.291 . . . . 0.0 111.848 173.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.441 HG21 ' HD3' ' A' ' 41' ' ' LYS . 70.1 mt -63.59 -26.77 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.108 -177.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -72.6 -10.75 60.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.681 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -100.52 -42.38 6.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.003 0.43 . . . . 0.0 111.244 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -89.56 131.59 35.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.32 0.581 . . . . 0.0 112.15 -172.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.441 ' CB ' ' HE3' ' A' ' 87' ' ' LYS . 4.6 tp-100 -111.76 149.33 31.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.55 175.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.676 HD11 HD23 ' A' ' 40' ' ' LEU . 78.0 mt -102.24 134.69 45.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.737 0.303 . . . . 0.0 111.088 -176.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 41.3 m-85 -124.02 121.49 35.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.274 176.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -93.05 103.14 15.47 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 m 66.77 -74.22 0.07 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 123.89 0.744 . . . . 0.0 110.865 -176.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -146.64 10.63 1.46 Allowed Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 37.4 mt -105.25 122.89 59.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.199 -176.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -79.69 121.14 24.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.997 0.427 . . . . 0.0 110.339 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.8 mt -83.59 80.25 9.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.048 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.9 -17.68 34.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.989 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.435 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 2.9 m-20 -91.87 100.17 12.9 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.547 ' HB3' ' HB3' ' A' ' 38' ' ' SER . 9.9 m-20 -71.5 -33.03 68.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.177 -175.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -80.49 15.97 1.49 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.202 -0.453 . . . . 0.0 112.013 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.458 ' O ' HG23 ' A' ' 37' ' ' VAL . 14.3 mmt180 -102.55 136.09 43.01 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.957 0.408 . . . . 0.0 111.502 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.498 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 5.3 m-20 -71.67 146.73 48.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.29 175.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.683 HD22 HD21 ' A' ' 40' ' ' LEU . 68.8 mt -61.58 -42.45 98.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.01 0.434 . . . . 0.0 110.428 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . 0.578 ' OD1' ' HA ' ' A' ' 34' ' ' THR . 4.2 p-10 -61.08 -29.01 69.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.423 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 54.5 mm-40 -66.44 -37.42 85.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.55 0.214 . . . . 0.0 111.155 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . 0.435 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 82.8 m-85 -70.41 -23.39 62.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.006 0.431 . . . . 0.0 110.453 177.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.01 12.83 28.74 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -175.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.424 HG13 ' HB2' ' A' ' 74' ' ' TYR . 65.9 mt -67.67 116.71 7.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.925 0.393 . . . . 0.0 110.691 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.3 t -101.47 -172.82 2.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.002 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.602 ' HG3' ' HA ' ' A' ' 16' ' ' ILE . 22.1 tt0 -76.47 154.74 34.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.495 -177.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 64.29 31.29 13.04 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.583 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 p -85.55 172.23 11.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.393 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -119.42 112.75 19.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.081 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 1.7 mp -106.86 108.51 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.51 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 21.4 t -87.84 122.07 39.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.58 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.4 t -95.52 103.98 15.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-O 121.032 0.444 . . . . 0.0 110.821 -176.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.442 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 37.7 m-85 -95.29 121.91 37.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.084 176.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.1 mt -87.51 126.67 35.05 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.441 ' HE3' ' CB ' ' A' ' 56' ' ' GLN . 38.2 mttt . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.844 -173.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 3.3 mppt? . . . . . 0 C--O 1.236 0.371 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 77' ' ' THR . 15.7 pt -91.84 150.91 3.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.252 0.548 . . . . 0.0 111.325 -173.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.577 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 46.4 m80 -91.73 106.29 18.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.772 178.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.07 140.49 19.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.407 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.6 m -93.64 109.94 21.56 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.9 t -94.44 113.86 29.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.02 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.865 ' HB3' ' HZ3' ' A' ' 21' ' ' LYS . 7.9 mtpm? -101.5 113.62 26.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.654 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -99.18 155.1 36.92 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.359 170.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -59.59 -11.27 13.65 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.676 2.251 . . . . 0.0 112.95 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -123.14 -13.1 7.81 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HZ3' ' CD ' ' A' ' 48' ' ' GLU . 18.4 ptpt -159.52 169.81 23.04 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 122.013 -0.429 . . . . 0.0 111.278 -174.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 24.4 tt0 -144.27 127.02 16.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.953 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -147.32 160.0 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.708 0.29 . . . . 0.0 110.612 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 m -107.74 141.94 38.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.426 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.7 t -128.22 147.32 32.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.151 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.577 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 49.0 mt-10 -95.43 109.74 21.88 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.235 0.54 . . . . 0.0 110.377 175.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.8 m -126.75 153.0 35.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.245 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -66.25 148.61 51.59 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.83 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -75.43 -27.32 58.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.407 0.622 . . . . 0.0 110.331 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.97 14.19 20.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.557 176.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.456 ' HG3' ' HB3' ' A' ' 39' ' ' SER . 6.1 tp10 -63.6 143.65 57.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.328 178.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 13.2 p -79.36 152.98 30.11 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.327 175.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.521 HG13 ' HE3' ' A' ' 41' ' ' LYS . 58.8 t -57.94 -37.04 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.075 0.464 . . . . 0.0 110.839 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.542 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 1.6 t -71.6 -26.77 62.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -178.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.456 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 25.8 t -79.07 -29.63 43.54 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.719 HD22 HD13 ' A' ' 57' ' ' LEU . 17.2 tp -63.32 -49.55 73.53 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.058 173.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.521 ' HE3' HG13 ' A' ' 37' ' ' VAL . 94.2 mttt -56.26 -44.82 80.1 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.631 176.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.412 ' O ' HG13 ' A' ' 46' ' ' ILE . 32.3 t70 -59.89 -46.72 88.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.845 -178.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -62.03 -43.86 97.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 40' ' ' LEU . 70.5 mt -62.48 -35.93 72.36 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.714 176.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.97 -29.04 68.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.185 0.517 . . . . 0.0 111.312 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 42' ' ' ASP . 89.7 mt -72.04 -41.54 67.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.496 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -79.24 -55.71 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.02 0.438 . . . . 0.0 110.733 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' CD ' ' HZ3' ' A' ' 25' ' ' LYS . 6.8 mm-40 -94.39 147.77 22.89 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.003 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -78.4 -5.34 52.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.631 -175.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.43 HG23 ' HB3' ' A' ' 55' ' ' MET . 7.7 m -64.81 126.18 90.46 Favored Pre-proline 0 N--CA 1.445 -0.676 0 CA-C-O 121.34 0.59 . . . . 0.0 111.526 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.666 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 38.5 Cg_exo -58.97 143.96 99.45 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.814 2.343 . . . . 0.0 111.33 173.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' A' ' 41' ' ' LYS . 49.7 mt -59.92 -39.0 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -173.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -78.45 -10.28 59.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.666 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 4.3 mpt_? -93.29 -16.07 25.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.729 0.299 . . . . 0.0 111.361 -176.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' MET . . . . . 0.507 ' HE3' ' HA ' ' A' ' 52' ' ' ILE . 22.8 ptt? -114.36 130.03 56.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.101 0.477 . . . . 0.0 110.977 -178.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -111.61 132.47 54.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.687 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.813 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . 19.8 mt -91.7 130.78 37.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.075 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.468 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 76.6 m-85 -126.94 133.96 50.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.874 0.368 . . . . 0.0 110.846 176.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -134.3 113.19 11.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.293 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.6 t 62.84 19.56 11.59 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.776 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.54 -9.58 58.97 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.145 -178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.4 mt -84.94 128.57 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -84.73 111.67 19.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.602 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.813 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 16.0 mt -87.42 77.85 8.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.833 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.6 -34.82 8.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.406 -177.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -67.94 110.33 3.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.389 0.614 . . . . 0.0 111.498 -175.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.542 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 20.3 m-20 -65.92 -30.46 71.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.495 -173.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -81.95 -0.51 44.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -174.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.441 ' HE ' ' HA ' ' A' ' 69' ' ' ARG . 2.0 mmp_? -89.55 163.77 15.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.615 0.245 . . . . 0.0 110.825 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.535 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 14.8 m120 -111.55 155.43 23.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.626 HD11 HD12 ' A' ' 40' ' ' LEU . 73.0 mt -61.58 -50.86 70.92 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -175.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -59.74 -26.86 66.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.609 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 54.1 mm-40 -58.31 -34.79 70.98 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.929 0.395 . . . . 0.0 110.703 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -84.45 2.9 38.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.66 10.56 57.78 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.61 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.7 mt -72.91 109.33 4.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.208 0.528 . . . . 0.0 110.31 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.604 ' O ' HG22 ' A' ' 16' ' ' ILE . 4.1 t -107.37 -50.07 3.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.158 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 39.3 tt0 178.82 149.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.776 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.442 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 47.6 m-85 59.22 23.8 12.18 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.51 0.506 . . . . 0.0 111.816 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.4 p -70.58 131.5 44.06 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.245 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -85.92 109.65 18.88 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.8 mm -96.0 109.12 22.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.831 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.5 t -90.71 106.03 17.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.695 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.7 t -88.63 105.12 15.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.471 -177.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.468 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 27.0 m-85 -91.24 113.0 25.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.19 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.2 mt -81.88 122.14 27.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.186 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp . . . . . 0 C--N 1.32 -0.675 0 CA-C-O 121.375 0.607 . . . . 0.0 109.763 178.566 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.4 ' HE2' ' OD2' ' A' ' 32' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.9 pt -109.47 159.45 8.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.936 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . 0.427 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 69.2 m80 -100.94 112.08 24.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.788 177.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.3 m -97.54 132.39 42.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.165 0.507 . . . . 0.0 110.581 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.492 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 5.7 m -85.62 109.63 18.69 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.671 178.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.17 113.76 26.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 120.938 0.399 . . . . 0.0 110.491 -176.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.535 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 71.5 mmtt -91.58 107.11 18.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.39 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -110.03 150.86 42.02 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.133 175.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.16 -19.85 58.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.786 2.324 . . . . 0.0 112.565 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.0 m -93.14 -60.44 1.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.64 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -145.25 174.32 11.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.145 0.497 . . . . 0.0 111.321 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -115.68 142.42 46.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.007 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -154.48 174.11 15.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -122.82 140.65 52.7 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -178.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.0 t -122.23 137.14 56.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.214 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 55.3 mt-10 -89.29 109.97 20.8 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.171 0.51 . . . . 0.0 110.299 176.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.536 HG13 HD13 ' A' ' 40' ' ' LEU . 35.0 m -131.22 145.61 35.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.514 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.4 ' OD2' ' HE2' ' A' ' 15' ' ' LYS . 9.3 t0 -64.3 142.75 58.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 176.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -73.44 -16.82 61.3 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.616 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.7 p -97.58 9.93 41.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.019 0.438 . . . . 0.0 110.368 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -73.66 148.14 43.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.207 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.6 p -83.44 150.89 25.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.338 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.451 HG11 HD13 ' A' ' 57' ' ' LEU . 74.2 t -58.49 -34.73 51.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.614 -178.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.534 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -64.23 -35.07 79.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.894 0.378 . . . . 0.0 110.68 -178.766 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.453 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 34.4 t -80.24 -28.74 38.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.735 HD22 HD12 ' A' ' 57' ' ' LEU . 18.3 tp -59.41 -52.28 66.27 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.784 176.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.57 ' HG3' HD11 ' A' ' 57' ' ' LEU . 48.6 mtmt -65.89 -32.84 74.58 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.887 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.515 ' O ' HG13 ' A' ' 46' ' ' ILE . 23.1 t70 -57.24 -45.89 83.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.481 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.525 ' HA ' HD11 ' A' ' 46' ' ' ILE . 65.2 mttm -68.58 -39.7 80.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.915 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 40' ' ' LEU . 61.9 mt -60.22 -37.45 73.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -65.24 -30.48 71.36 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.712 0.291 . . . . 0.0 111.122 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.525 HD11 ' HA ' ' A' ' 43' ' ' LYS . 66.3 mt -72.23 -49.51 42.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.968 0.413 . . . . 0.0 110.709 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.9 t -71.2 -52.29 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.467 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -104.17 124.77 49.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.224 -177.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -78.08 70.57 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.496 0.665 . . . . 0.0 110.392 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.7 m -132.97 128.04 20.46 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.833 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.84 135.55 57.77 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.896 2.398 . . . . 0.0 112.476 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.39 -18.86 24.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.221 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -67.94 -26.35 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.339 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -94.97 -46.49 6.81 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -174.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -80.52 116.55 20.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.535 0.683 . . . . 0.0 111.726 -173.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -111.72 133.14 54.15 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.445 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.852 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . 18.5 mt -90.6 140.24 29.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.22 -171.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.429 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 51.6 m-85 -131.67 139.43 49.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.382 174.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.476 ' CD2' HG12 ' A' ' 76' ' ' ILE . 40.6 t80 -130.96 112.92 13.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.071 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.4 t 61.89 -94.41 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.293 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.66 7.21 6.98 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 173.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.1 mt -98.95 129.25 49.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.09 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.423 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -86.48 134.24 33.69 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.75 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.852 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 56.5 mt -91.19 63.02 4.92 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.53 -23.9 29.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.323 -175.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -92.74 107.47 19.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.494 0.664 . . . . 0.0 111.262 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.534 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 1.1 m-20 -66.49 -33.39 75.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.654 -1.157 . . . . 0.0 112.639 -175.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -78.46 -12.93 60.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -171.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.421 ' HE ' ' HG3' ' A' ' 73' ' ' GLU . 4.9 mtp85 -86.78 152.14 22.76 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.004 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.501 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 72.2 m-20 -81.25 154.25 26.7 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.546 177.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.698 HD22 HD23 ' A' ' 40' ' ' LEU . 66.7 mt -59.94 -31.96 70.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.789 0.804 . . . . 0.0 109.378 174.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -55.71 -35.07 65.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.992 174.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.501 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 15.2 mm-40 -66.56 -23.32 66.19 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.195 -175.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -98.96 -12.84 20.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.538 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.26 38.82 9.62 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.249 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.476 HG12 ' CD2' ' A' ' 59' ' ' TYR . 43.8 mt -80.1 118.73 28.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.931 0.396 . . . . 0.0 110.233 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.6 t -101.4 -175.85 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.515 -173.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.562 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 10.9 tp10 -67.13 139.26 57.49 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.104 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 58.7 m-85 55.82 51.37 12.4 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.366 0.603 . . . . 0.0 110.898 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.435 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 4.4 p -97.79 145.28 26.54 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.358 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.492 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 4.3 mp0 -89.84 123.07 33.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.159 0.504 . . . . 0.0 110.94 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.48 112.57 40.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.118 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.535 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 37.1 t -87.48 110.7 20.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.674 -177.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.3 t -95.75 108.98 21.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.037 0.446 . . . . 0.0 110.449 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.429 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 45.3 m-85 -91.56 118.66 30.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.674 176.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.1 mt -85.3 110.92 19.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.194 0.521 . . . . 0.0 109.907 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.1 mttt . . . . . 0 C--N 1.316 -0.85 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.012 -177.339 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? . . . . . 0 N--CA 1.446 -0.626 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.9 pt -96.59 144.4 10.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-O 121.317 0.58 . . . . 0.0 111.271 -173.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -82.47 100.19 9.91 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.298 175.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 m -93.07 141.76 14.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.495 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -90.64 109.28 20.45 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.2 t -95.51 109.54 22.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.065 0.46 . . . . 0.0 109.786 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.416 ' HG2' ' HG3' ' A' ' 26' ' ' GLN . 44.0 mtmt -96.71 101.05 12.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.326 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -92.64 152.05 41.6 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.119 171.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.39 -23.24 74.17 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.202 1.934 . . . . 0.0 111.547 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 m -87.56 -36.72 17.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.577 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -161.05 166.57 27.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.697 0.284 . . . . 0.0 110.826 -172.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . 0.416 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 27.6 tt0 -122.79 126.42 47.4 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -146.77 160.08 42.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.035 0.445 . . . . 0.0 110.956 -177.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.45 139.23 39.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.229 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.6 t -121.81 139.1 49.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -89.72 102.56 15.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.195 0.521 . . . . 0.0 110.455 175.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.514 HG13 ' HD2' ' A' ' 43' ' ' LYS . 35.4 m -122.57 145.82 28.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.592 177.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASP . . . . . 0.43 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 10.4 t0 -70.97 139.95 50.74 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -75.87 -12.24 60.12 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.026 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 p -98.75 12.36 35.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.182 0.515 . . . . 0.0 110.664 172.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 10.4 tp10 -83.65 158.69 21.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.556 176.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 p -92.82 157.43 16.4 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.58 -176.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.508 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 95.8 t -59.83 -33.8 53.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.454 -178.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.554 ' HB3' ' HB3' ' A' ' 67' ' ' ASP . 1.0 OUTLIER -62.58 -37.45 86.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.536 179.745 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 17.4 m -79.28 -26.14 42.36 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.093 0.473 . . . . 0.0 109.824 -179.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.533 HD11 HD11 ' A' ' 71' ' ' LEU . 16.0 tp -60.27 -49.03 79.23 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HE3' HG11 ' A' ' 37' ' ' VAL . 92.2 mttt -61.98 -41.08 97.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.525 176.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.46 ' O ' HG13 ' A' ' 46' ' ' ILE . 21.7 t70 -57.4 -48.09 80.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.663 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HD2' HG13 ' A' ' 31' ' ' VAL . 55.0 mttm -66.59 -43.47 84.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.213 -178.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.95 -39.65 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.486 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.67 -30.34 71.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.111 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.7 mt -75.22 -47.87 33.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.944 0.402 . . . . 0.0 110.894 178.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.75 -54.46 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.06 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -100.98 152.76 20.18 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.778 -177.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -93.41 81.04 4.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.372 0.606 . . . . 0.0 110.957 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' THR . . . . . 0.548 HG23 HD21 ' A' ' 86' ' ' LEU . 97.9 m -150.0 127.47 5.59 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.237 174.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -57.5 139.77 91.2 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.769 2.313 . . . . 0.0 111.577 173.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.71 -23.96 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 0.0 110.796 -178.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -76.56 -10.3 59.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.937 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -104.27 -45.64 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.602 0.239 . . . . 0.0 111.539 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -79.24 133.26 36.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.176 0.512 . . . . 0.0 111.37 -176.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -112.83 125.07 53.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.878 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.428 HD11 HD21 ' A' ' 40' ' ' LEU . 53.6 mt -87.74 128.87 35.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 -175.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' TYR . . . . . 0.554 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 51.8 m-85 -122.29 121.78 37.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 175.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.407 ' C ' ' HG ' ' A' ' 60' ' ' SER . 62.3 t80 -93.1 117.97 30.67 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 168.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.407 ' HG ' ' C ' ' A' ' 59' ' ' TYR . 78.1 p 55.54 -95.87 0.06 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.263 0.625 . . . . 0.0 111.055 -172.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -125.76 10.15 7.56 Favored Glycine 0 N--CA 1.453 -0.194 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.6 mt -105.68 130.25 57.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.921 -0.639 . . . . 0.0 110.052 -175.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 0.5 OUTLIER -85.37 141.47 29.99 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.036 0.446 . . . . 0.0 109.97 179.404 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.4 mt -89.95 88.3 7.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.161 0.505 . . . . 0.0 109.725 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.91 -35.54 17.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.112 -173.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -89.17 105.57 17.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.134 0.492 . . . . 0.0 111.54 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.554 ' HB3' ' HB3' ' A' ' 38' ' ' SER . 5.6 m-20 -63.23 -41.61 99.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.094 -178.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -68.15 -11.54 59.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.05 -176.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -77.89 143.96 37.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.805 0.336 . . . . 0.0 111.541 -177.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASN . . . . . 0.54 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 14.4 m120 -80.41 149.53 30.12 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.533 HD11 HD11 ' A' ' 40' ' ' LEU . 66.3 mt -59.57 -31.01 69.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.691 0.758 . . . . 0.0 109.554 175.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -58.41 -36.94 74.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.946 175.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.54 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 10.4 mm-40 -66.02 -30.87 71.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.861 0.363 . . . . 0.0 110.649 -175.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -83.5 -13.28 54.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.876 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.86 37.93 12.43 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.757 -176.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.8 mt -85.44 120.54 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.05 0.452 . . . . 0.0 110.246 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.8 t -113.35 -174.85 2.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.691 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 26.0 tt0 -76.51 145.91 38.8 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PHE . . . . . 0.438 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 65.1 m-85 68.32 29.66 5.82 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.726 -176.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -85.84 164.32 17.59 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.166 174.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -106.62 119.07 38.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.401 0.619 . . . . 0.0 111.391 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.1 mm -108.87 106.55 20.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.034 173.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.554 ' HB ' ' HB2' ' A' ' 58' ' ' TYR . 12.2 t -89.83 122.14 40.84 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.818 -176.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.1 t -105.99 101.09 11.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.135 0.493 . . . . 0.0 110.755 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -95.46 119.21 33.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.115 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.548 HD21 HG23 ' A' ' 50' ' ' THR . 24.3 mt -85.53 116.01 23.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.166 -176.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.512 ' HZ3' ' HA ' ' A' ' 87' ' ' LYS . 2.0 mmpm? . . . . . 0 C--N 1.319 -0.717 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mtp . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 82.3 -166.68 46.26 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -175.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 71.63 -4.25 1.94 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.242 0.544 . . . . 0.0 111.148 177.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -84.43 80.79 9.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.246 0.546 . . . . 0.0 110.484 -176.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -86.67 155.57 20.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.412 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -76.44 143.68 40.41 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -154.09 132.34 11.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.258 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -119.08 85.04 2.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.807 0.813 . . . . 0.0 109.634 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 m -70.57 -32.03 69.27 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.726 -176.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -155.06 114.34 3.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.674 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.82 -32.41 16.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.68 0.752 . . . . 0.0 110.434 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.55 70.52 10.44 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.096 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.6 p -157.2 152.1 7.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.736 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -98.47 128.75 44.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.879 0.371 . . . . 0.0 110.019 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -76.91 139.98 40.37 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.9 pt -94.41 157.42 3.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.277 0.56 . . . . 0.0 110.729 -175.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.64 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 77.7 m80 -103.5 111.59 24.12 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.383 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -100.18 141.34 17.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.945 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -91.88 110.02 21.37 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.907 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.5 t -94.5 111.63 25.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.946 0.403 . . . . 0.0 109.957 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -108.61 114.5 28.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.671 -176.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.508 ' C ' ' H ' ' A' ' 24' ' ' SER . 27.4 m-85 -95.21 166.64 14.42 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.36 19.96 0.25 Allowed 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.758 2.306 . . . . 0.0 112.042 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.508 ' H ' ' C ' ' A' ' 22' ' ' PHE . 13.9 p -150.63 -55.29 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.011 -176.359 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -119.34 165.21 14.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.18 -175.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -140.26 127.07 20.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.953 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -146.83 162.41 38.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.754 0.312 . . . . 0.0 110.376 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -111.43 141.15 45.36 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 t -126.93 139.62 51.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.083 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.64 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 50.3 mt-10 -88.92 112.92 23.88 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 121.422 0.63 . . . . 0.0 110.008 176.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.441 HG12 ' CD ' ' A' ' 43' ' ' LYS . 15.2 m -130.74 154.42 40.62 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.207 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -73.17 155.13 39.94 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.47 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -76.43 -19.83 57.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.007 0.432 . . . . 0.0 111.066 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.9 p -100.92 14.34 32.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.248 0.547 . . . . 0.0 110.504 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -63.51 140.03 58.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.296 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.477 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -74.4 154.42 38.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.268 178.349 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.7 -37.25 77.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.29 0.567 . . . . 0.0 109.716 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.569 ' HB3' ' CG ' ' A' ' 67' ' ' ASP . 2.8 p -62.18 -38.96 91.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.802 174.484 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 22.2 m -78.54 -22.06 47.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.23 0.538 . . . . 0.0 109.633 -174.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.741 HD22 HD12 ' A' ' 57' ' ' LEU . 15.9 tp -71.06 -50.0 38.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.52 -0.764 . . . . 0.0 108.988 173.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' HB3' HG23 ' A' ' 52' ' ' ILE . 86.5 mttt -64.67 -33.6 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.785 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.451 ' O ' HG13 ' A' ' 46' ' ' ILE . 2.0 m-20 -54.74 -53.36 56.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.978 0.418 . . . . 0.0 110.591 174.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.441 ' CD ' HG12 ' A' ' 31' ' ' VAL . 57.9 mttp -62.18 -41.3 98.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.286 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 40' ' ' LEU . 68.1 mt -65.36 -38.15 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.66 0.267 . . . . 0.0 110.721 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -64.96 -30.26 71.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.989 0.423 . . . . 0.0 111.009 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 42' ' ' ASP . 86.4 mt -70.27 -32.09 49.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.005 0.431 . . . . 0.0 110.37 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.03 -54.95 7.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.514 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.565 ' CD ' ' H ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER -97.85 165.73 11.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.196 0.522 . . . . 0.0 110.585 -174.534 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.565 ' H ' ' CD ' ' A' ' 48' ' ' GLU . 32.5 m-80 -76.83 -27.88 55.32 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.419 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.641 ' OG1' ' HE2' ' A' ' 93' ' ' LYS . 21.3 m -57.04 126.46 73.29 Favored Pre-proline 0 C--O 1.235 0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 112.483 -175.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.672 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 39.7 Cg_exo -60.75 151.72 74.69 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 123.229 2.62 . . . . 0.0 112.164 171.393 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.502 ' HA ' ' HE1' ' A' ' 55' ' ' MET . 53.3 mt -60.36 -47.01 94.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -173.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -68.92 -21.18 64.23 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.672 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 3.6 mpt_? -89.76 -29.35 18.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.734 -0.387 . . . . 0.0 111.909 -174.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.522 ' HB3' HG22 ' A' ' 50' ' ' THR . 21.9 ptt? -90.47 129.09 36.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.986 0.422 . . . . 0.0 110.543 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.488 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 12.4 mm-40 -110.4 137.46 48.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.549 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.741 HD12 HD22 ' A' ' 40' ' ' LEU . 31.9 mt -99.0 128.96 45.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.038 -176.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -118.79 121.85 41.02 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.761 0.315 . . . . 0.0 110.589 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -114.94 102.06 9.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 m 51.48 33.13 9.79 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.666 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 113.44 -18.01 20.8 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.504 -0.855 . . . . 0.0 113.106 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.13 125.56 51.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 117.016 0.408 . . . . 0.0 110.641 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -79.66 118.7 21.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.835 174.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.617 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 22.5 mt -85.5 79.33 9.45 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.45 -8.86 18.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.558 -175.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.507 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . 65.4 m-20 -89.6 95.59 10.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.235 0.541 . . . . 0.0 110.839 -178.505 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.569 ' CG ' ' HB3' ' A' ' 38' ' ' SER . 17.9 t70 -58.92 -26.78 64.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.592 -176.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -86.58 -13.77 44.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.683 -173.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.507 ' HG3' ' HB3' ' A' ' 66' ' ' ASP . 63.4 mtp180 -89.47 166.87 13.42 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.95 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.477 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 90.8 m-20 -103.11 170.41 7.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.383 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.679 HD13 HD12 ' A' ' 40' ' ' LEU . 63.6 mt -68.32 -32.74 73.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.003 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.11 -28.42 70.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.37 -34.64 75.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.155 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -92.24 -12.33 32.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.52 55.72 3.85 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.028 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.471 HD11 HD21 ' A' ' 71' ' ' LEU . 59.2 mt -100.56 122.33 52.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -178.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 t -110.1 -171.65 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.623 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.406 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 35.5 tt0 -74.47 152.72 39.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.633 0.254 . . . . 0.0 110.948 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 68.11 21.82 8.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.483 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -73.06 146.06 46.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.381 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -100.51 100.9 11.71 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.12 0.486 . . . . 0.0 110.105 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.5 mm -94.43 106.7 18.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.646 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.66 115.65 29.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.534 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.5 t -97.18 107.59 20.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.986 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -96.13 118.76 33.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.239 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.545 HD23 HG22 ' A' ' 50' ' ' THR . 21.8 mt -85.93 119.6 26.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.728 -176.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -89.65 68.44 7.63 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.421 0.629 . . . . 0.0 110.089 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.0 m -146.69 97.27 2.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.059 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 24.8 pt -117.21 3.25 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.294 -0.412 . . . . 0.0 112.066 -174.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -90.05 -36.19 15.04 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -131.23 110.34 11.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.441 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.76 154.94 41.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.539 -175.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.641 ' HE2' ' OG1' ' A' ' 50' ' ' THR . 0.0 OUTLIER -145.53 162.48 37.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.492 176.487 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.181 -0.914 . . . . 0.0 108.876 174.18 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.961 0.41 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.33 98.54 0.21 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.576 -0.609 . . . . 0.0 111.576 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -135.97 109.62 8.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.226 0.536 . . . . 0.0 111.062 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -115.38 6.79 14.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.587 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -129.3 125.34 36.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.149 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -150.81 144.11 24.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.304 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -94.47 -41.82 9.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.289 0.566 . . . . 0.0 110.229 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -141.85 -174.51 4.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.925 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 p -136.46 91.84 2.7 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.385 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -72.31 -43.41 64.21 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.83 98.45 10.76 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 168.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.49 78.6 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.299 0.571 . . . . 0.0 111.214 -174.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.2 p -97.01 117.88 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-O 121.649 0.738 . . . . 0.0 110.043 176.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -95.29 125.88 40.23 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.261 -175.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -71.17 139.8 50.31 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.0 pt -88.16 142.9 12.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-O 121.495 0.664 . . . . 0.0 110.797 -172.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.485 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 66.5 m80 -94.21 101.17 13.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.917 -177.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.3 m -90.28 147.99 4.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 -177.508 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 m -96.57 109.5 22.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.7 t -97.28 112.7 29.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.087 0.47 . . . . 0.0 109.904 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.559 ' HD2' ' HG3' ' A' ' 81' ' ' GLU . 50.3 mtpt -107.32 106.06 16.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.608 -174.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -92.85 160.45 33.99 Favored Pre-proline 0 C--N 1.318 -0.795 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.0 -18.91 64.1 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.463 2.108 . . . . 0.0 112.506 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.2 m -103.32 -28.44 11.85 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -163.18 165.08 24.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.046 0.45 . . . . 0.0 111.295 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.49 ' OE1' ' HE3' ' A' ' 21' ' ' LYS . 22.3 tt0 -129.45 136.59 50.1 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.028 178.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -148.6 166.92 26.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.673 0.273 . . . . 0.0 110.855 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -103.83 140.6 37.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.309 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 57.8 t -126.28 140.86 47.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.485 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 43.9 mt-10 -92.12 120.05 32.36 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.443 0.639 . . . . 0.0 110.672 175.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.749 HG12 HD13 ' A' ' 40' ' ' LEU . 33.9 m -133.21 158.44 43.07 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.517 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -75.74 152.82 37.34 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.888 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -72.18 -23.84 61.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.801 0.334 . . . . 0.0 111.072 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.9 p -103.47 13.97 32.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.189 0.519 . . . . 0.0 110.189 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.504 ' CD ' ' HZ3' ' A' ' 43' ' ' LYS . 33.0 tt0 -67.79 149.18 50.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.173 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.462 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 32.3 p -84.9 157.52 20.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.754 0.312 . . . . 0.0 110.689 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.486 HG11 ' HE3' ' A' ' 41' ' ' LYS . 61.4 t -60.36 -26.11 36.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.666 0.746 . . . . 0.0 109.788 176.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 t -63.86 -48.34 77.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.856 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.6 m -76.46 -21.56 55.71 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.534 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.749 HD13 HG12 ' A' ' 31' ' ' VAL . 12.1 tp -65.47 -53.98 34.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.501 175.269 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.504 ' HB3' HG21 ' A' ' 52' ' ' ILE . 89.5 mttt -62.26 -34.99 77.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.492 178.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.508 ' O ' HG13 ' A' ' 46' ' ' ILE . 21.8 t70 -56.46 -53.6 55.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.154 -177.114 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.504 ' HZ3' ' CD ' ' A' ' 35' ' ' GLU . 37.3 mtmm -69.26 -33.14 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.74 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 40' ' ' LEU . 66.6 mt -62.07 -37.89 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 175.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -70.02 -29.77 66.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 42' ' ' ASP . 91.0 mt -73.69 -39.46 53.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.907 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.5 t -76.3 -47.85 29.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.154 0.502 . . . . 0.0 110.708 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 4.0 mm-40 -95.57 -170.27 2.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.567 -175.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -106.62 -40.53 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.931 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.452 HG23 ' HB3' ' A' ' 55' ' ' MET . 29.6 m -49.85 123.61 15.38 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.062 -176.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.411 ' HG3' ' HB2' ' A' ' 92' ' ' ALA . 40.7 Cg_exo -57.2 148.87 67.36 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.028 2.486 . . . . 0.0 111.812 173.338 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.504 HG21 ' HB3' ' A' ' 41' ' ' LYS . 66.3 mt -60.73 -35.67 65.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.764 -173.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -78.45 -10.06 59.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.112 -174.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.541 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -103.56 -16.9 15.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 111.312 -175.663 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.495 ' HE3' ' HA ' ' A' ' 52' ' ' ILE . 24.5 ptt? -110.26 135.78 50.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.285 178.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -110.77 132.51 54.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.374 -178.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.478 HD11 HD23 ' A' ' 40' ' ' LEU . 54.7 mt -92.74 128.93 38.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.524 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.465 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 74.8 m-85 -121.49 120.9 36.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.888 0.375 . . . . 0.0 110.804 176.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -90.7 102.1 14.85 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.0 m 60.76 17.06 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.16 -16.32 20.23 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.125 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.447 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 59.9 mt -80.0 126.68 39.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 122.262 0.225 . . . . 0.0 110.54 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -78.47 118.91 21.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.819 0.342 . . . . 0.0 110.474 -177.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.8 mt -83.6 88.62 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.027 0.442 . . . . 0.0 110.21 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.87 -38.47 16.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.229 -174.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.48 ' HB2' ' HB2' ' A' ' 69' ' ' ARG . 24.9 m-20 -78.87 105.92 10.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.876 0.37 . . . . 0.0 110.599 -175.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -71.64 -27.38 63.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.577 0.703 . . . . 0.0 110.198 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -84.68 -9.98 57.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.613 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.48 ' HB2' ' HB2' ' A' ' 66' ' ' ASP . 12.4 mtt85 -83.08 152.1 25.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.163 0.506 . . . . 0.0 112.144 -176.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.462 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 8.5 m-20 -79.19 161.63 26.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.458 175.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.58 HD11 HD12 ' A' ' 40' ' ' LEU . 67.8 mt -68.0 -32.76 73.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.862 0.363 . . . . 0.0 110.679 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.405 ' OD1' ' HB3' ' A' ' 70' ' ' ASN . 2.5 p-10 -63.01 -27.56 69.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 177.805 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 14.3 mm-40 -55.62 -39.17 70.44 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.971 0.415 . . . . 0.0 110.906 175.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.426 ' HB2' HG13 ' A' ' 76' ' ' ILE . 81.3 m-85 -94.49 0.19 55.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.653 -178.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.82 30.37 61.71 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.411 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.556 ' HB ' ' HB3' ' A' ' 71' ' ' LEU . 58.0 mt -76.13 119.11 23.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.082 0.468 . . . . 0.0 111.164 -177.346 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.2 t -114.55 -168.85 1.43 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.174 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.514 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 42.3 tt0 -72.7 147.81 45.31 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.514 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 42.3 m-85 62.71 33.78 15.25 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.511 0.672 . . . . 0.0 110.322 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 p -78.02 133.85 37.89 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.726 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.559 ' HG3' ' HD2' ' A' ' 21' ' ' LYS . 40.8 tt0 -90.9 103.95 16.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.343 0.592 . . . . 0.0 110.585 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.5 mm -98.6 108.49 22.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.854 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 t -91.3 122.31 42.59 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.567 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.51 103.74 15.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.099 0.476 . . . . 0.0 111.0 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.465 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 53.1 m-85 -91.61 130.63 37.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.727 176.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.572 HD11 HG21 ' A' ' 89' ' ' ILE . 42.4 mt -101.99 129.5 48.3 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.65 -174.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -82.29 -62.54 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.762 0.791 . . . . 0.0 110.605 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.9 m -151.06 108.81 3.67 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.103 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.572 HG21 HD11 ' A' ' 86' ' ' LEU . 9.9 pt -89.77 102.14 12.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.36 0.6 . . . . 0.0 112.021 -173.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -89.94 136.89 32.77 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 171.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -72.36 96.92 1.94 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.463 -175.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . 0.411 ' HB2' ' HG3' ' A' ' 51' ' ' PRO . . . -70.22 -65.79 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.265 -177.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -87.47 -96.47 0.09 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.526 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.766 175.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.2 ttp . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.09 -150.15 18.67 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.193 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -74.52 -36.65 63.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.796 0.332 . . . . 0.0 111.004 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -75.81 113.12 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -111.38 178.85 4.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.698 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -102.9 104.63 14.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.264 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -87.43 150.44 23.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -67.55 150.82 48.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.133 173.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 t -145.3 120.25 10.0 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.913 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -96.41 25.37 5.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.304 0.573 . . . . 0.0 110.316 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -106.58 149.33 27.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.672 176.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.9 22.12 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -176.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.67 127.24 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -102.23 132.44 48.16 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.382 0.61 . . . . 0.0 111.926 -170.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -78.42 142.97 37.18 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.38 175.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.606 HG22 ' O ' ' A' ' 77' ' ' THR . 24.4 pt -110.14 172.42 2.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.429 -173.513 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.632 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 49.2 m80 -112.65 103.3 11.34 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.651 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 m -87.43 146.33 6.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.53 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.52 ' HB ' ' HG2' ' A' ' 81' ' ' GLU . 27.3 m -100.73 109.79 21.84 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.2 t -91.63 116.76 33.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.109 0.48 . . . . 0.0 110.485 -177.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -103.31 105.69 16.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.127 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.451 ' C ' ' H ' ' A' ' 24' ' ' SER . 11.6 m-85 -94.29 156.62 38.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.767 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.92 33.86 0.28 Allowed 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 122.738 2.292 . . . . 0.0 112.698 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.451 ' H ' ' C ' ' A' ' 22' ' ' PHE . 3.4 p -156.32 -53.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.602 -178.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.04 165.14 27.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.778 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -125.68 141.05 52.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.383 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -152.8 158.96 43.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m -101.36 144.55 30.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.586 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.0 t -132.04 142.46 42.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.632 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 49.9 mt-10 -91.49 120.61 32.46 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.371 0.605 . . . . 0.0 110.889 177.389 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.5 HG13 ' HD2' ' A' ' 43' ' ' LYS . 5.6 m -137.32 154.58 30.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.195 177.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -75.0 152.37 38.74 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.85 -19.17 59.1 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.479 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.9 p -97.57 13.78 28.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.239 0.542 . . . . 0.0 110.194 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.461 ' HG3' ' HB2' ' A' ' 39' ' ' SER . 5.4 tp10 -65.12 147.91 52.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.721 -178.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.2 149.11 29.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.407 173.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.509 HG13 ' HE3' ' A' ' 41' ' ' LYS . 53.7 t -59.18 -32.31 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.119 0.485 . . . . 0.0 110.39 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.602 ' HB3' ' HB3' ' A' ' 67' ' ' ASP . 12.4 p -60.98 -39.75 90.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.921 175.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.461 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 20.0 m -79.58 -17.63 53.47 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.036 -175.764 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.555 HD11 HD11 ' A' ' 71' ' ' LEU . 18.7 tp -72.69 -52.43 15.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.16 174.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.509 ' HE3' HG13 ' A' ' 37' ' ' VAL . 90.8 mttt -59.8 -37.51 79.34 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.067 176.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.419 ' O ' HG13 ' A' ' 46' ' ' ILE . 9.3 t70 -54.49 -54.05 46.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.046 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.5 ' HD2' HG13 ' A' ' 31' ' ' VAL . 62.2 mttp -62.95 -41.18 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.349 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.18 -35.45 75.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.823 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -71.13 -30.86 67.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.919 0.39 . . . . 0.0 111.136 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.419 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.7 mt -69.73 -27.77 34.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.341 0.591 . . . . 0.0 109.467 176.296 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.2 t -78.49 -60.04 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.319 175.058 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -111.01 152.34 26.95 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.195 0.521 . . . . 0.0 111.649 -168.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -71.6 -8.07 51.74 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.925 -171.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.62 ' HA ' ' HB3' ' A' ' 90' ' ' ASN . 26.0 m -70.3 123.25 88.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 121.316 0.579 . . . . 0.0 111.612 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.504 ' HG2' ' HD2' ' A' ' 54' ' ' ARG . 48.9 Cg_exo -56.52 143.29 88.52 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.452 2.768 . . . . 0.0 112.531 173.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' A' ' 41' ' ' LYS . 56.4 mt -60.73 -40.65 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.015 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -72.82 -9.68 58.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.509 ' HB3' ' O ' ' A' ' 88' ' ' SER . 60.1 mtt180 -100.3 -40.22 7.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.929 0.395 . . . . 0.0 111.296 -178.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.402 ' HB3' HG21 ' A' ' 50' ' ' THR . 26.0 ptt? -85.38 124.81 32.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.789 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 19.6 tt0 -111.68 131.06 55.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.472 -178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.674 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . 41.2 mt -88.38 136.93 32.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.927 -174.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -128.81 122.27 30.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 175.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -101.43 107.36 18.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.0 t 64.53 -79.63 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.636 0.585 . . . . 0.0 110.208 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -143.64 8.53 2.05 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 55.9 mt -95.42 125.05 48.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.412 -0.394 . . . . 0.0 110.019 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -79.37 113.02 17.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.231 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.674 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 56.1 mt -83.44 77.16 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.378 0.608 . . . . 0.0 110.488 -177.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.36 -53.78 4.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.185 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -59.03 112.72 1.78 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.226 0.536 . . . . 0.0 111.661 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.602 ' HB3' ' HB3' ' A' ' 38' ' ' SER . 11.8 m-20 -76.43 -34.46 58.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.36 -177.353 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -76.17 -5.16 45.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.005 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -83.59 163.26 20.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.031 0.443 . . . . 0.0 111.101 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.442 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 5.1 m-20 -100.08 152.99 19.59 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.191 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.555 HD11 HD11 ' A' ' 40' ' ' LEU . 60.1 mt -65.1 -36.85 85.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.679 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.442 ' OD1' ' HB3' ' A' ' 70' ' ' ASN . 3.5 p-10 -59.88 -28.09 67.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.545 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.442 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 42.3 mt-10 -66.54 -30.4 70.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.594 0.235 . . . . 0.0 111.225 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -86.95 -7.0 58.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.673 0.273 . . . . 0.0 111.373 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.33 24.78 18.01 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.123 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.526 HG23 ' OG ' ' A' ' 80' ' ' SER . 59.4 mt -82.72 106.72 13.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.318 0.58 . . . . 0.0 110.006 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.606 ' O ' HG22 ' A' ' 16' ' ' ILE . 1.7 t -108.82 -54.42 2.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.883 -174.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.539 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 9.5 tp10 -172.57 144.78 1.49 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.539 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 61.3 m-85 56.86 26.73 11.98 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.764 0.425 . . . . 0.0 111.713 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.526 ' OG ' HG23 ' A' ' 76' ' ' ILE . 6.0 p -73.68 125.25 27.62 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.52 ' HG2' ' HB ' ' A' ' 19' ' ' THR . 48.3 mt-10 -85.95 128.3 34.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.643 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.8 mm -112.91 117.72 56.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.5 t -91.84 119.1 38.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.0 t -96.12 103.69 14.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.196 0.522 . . . . 0.0 110.72 -176.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -91.36 112.4 24.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.214 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.504 HD23 HG21 ' A' ' 50' ' ' THR . 25.7 mt -80.34 103.41 10.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.854 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 23.6 mmtp -74.51 -27.14 60.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.018 0.913 . . . . 0.0 108.643 178.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.509 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 23.9 t -141.32 128.22 20.57 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.156 -1.384 . . . . 0.0 108.173 173.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.6 pt -71.88 171.2 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.66 0.267 . . . . 0.0 110.688 -178.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.62 ' HB3' ' HA ' ' A' ' 50' ' ' THR . 10.4 p30 -92.15 151.09 20.56 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.53 115.28 27.17 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -177.413 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -161.16 83.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.104 -177.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt 55.81 30.61 16.09 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.871 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.619 -0.705 . . . . 0.0 109.86 177.516 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 ttp . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.887 0.375 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.57 144.61 4.41 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.956 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -112.52 139.79 47.81 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -98.78 118.92 36.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.161 -178.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -117.97 153.36 33.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.692 0.282 . . . . 0.0 110.267 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -133.06 25.95 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.122 0.487 . . . . 0.0 109.778 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -60.77 118.51 6.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.128 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -103.97 136.5 43.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.918 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -83.71 46.85 1.21 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.387 0.613 . . . . 0.0 110.234 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -151.21 164.83 35.67 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.25 105.52 0.15 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.941 0.4 . . . . 0.0 110.952 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.53 174.14 6.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.448 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 p -69.99 146.09 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.068 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -91.86 117.23 29.6 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 121.185 0.517 . . . . 0.0 110.861 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.05 135.59 33.94 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 177.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.448 HG21 ' HG2' ' A' ' 33' ' ' ARG . 31.8 pt -88.11 143.57 10.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.193 0.521 . . . . 0.0 110.229 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -91.27 102.65 15.36 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.382 -178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.7 m -91.36 141.27 14.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.224 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -101.39 109.84 21.74 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 177.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.74 116.29 31.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.707 -174.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.505 ' HE3' ' HG2' ' A' ' 81' ' ' GLU . 1.7 mptm? -94.68 110.13 22.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.078 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -112.33 148.69 39.69 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.609 172.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -67.62 -10.59 29.25 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.133 1.889 . . . . 0.0 111.259 172.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 m -95.6 -37.81 10.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.013 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.1 ptpt -167.52 174.42 7.87 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.331 -177.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -131.67 133.13 44.56 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -151.73 161.84 42.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.86 0.362 . . . . 0.0 111.188 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -107.79 143.69 36.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.812 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.1 t -130.14 141.7 45.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.349 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -89.82 109.15 20.16 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.272 0.558 . . . . 0.0 110.275 172.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.0 m -121.18 153.6 24.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.709 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 12.0 t70 -69.47 153.58 43.3 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.448 ' HG2' HG21 ' A' ' 16' ' ' ILE . 95.7 mtt180 -66.71 -28.05 68.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.261 0.553 . . . . 0.0 110.689 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.4 p -98.82 14.53 28.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.676 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.518 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 4.9 tp10 -58.0 129.81 43.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.25 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.514 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -71.72 154.58 41.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.296 176.719 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.433 HG11 ' HE3' ' A' ' 41' ' ' LYS . 87.0 t -61.78 -36.48 73.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.327 0.585 . . . . 0.0 109.787 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.592 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 1.7 p -62.94 -34.16 76.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.765 174.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 m -79.75 -32.49 41.05 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.957 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.635 HD13 HD11 ' A' ' 71' ' ' LEU . 18.4 tp -62.38 -44.87 95.44 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.657 176.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.433 ' HE3' HG11 ' A' ' 37' ' ' VAL . 92.3 mttt -58.26 -44.85 88.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.79 177.228 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.52 ' O ' HG13 ' A' ' 46' ' ' ILE . 33.6 t70 -63.54 -43.19 97.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.468 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -54.77 -50.48 68.35 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.629 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.71 -38.87 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.823 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.77 -30.87 71.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.517 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 42' ' ' ASP . 98.9 mt -73.36 -36.83 49.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.973 0.416 . . . . 0.0 110.922 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.0 t -81.13 -49.99 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.072 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -93.12 -171.62 2.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -99.49 -45.14 5.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.255 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.463 HG23 ' HB3' ' A' ' 55' ' ' MET . 16.4 m -46.3 126.75 7.58 Favored Pre-proline 0 C--O 1.236 0.375 0 CA-C-N 114.799 -1.091 . . . . 0.0 113.274 -172.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 35.6 Cg_exo -60.27 147.06 95.06 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 123.406 2.737 . . . . 0.0 112.039 171.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.42 ' CG2' ' HD3' ' A' ' 41' ' ' LYS . 84.8 mt -61.43 -29.06 45.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.742 -176.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' HZ1' ' CG ' ' A' ' 94' ' ' ASP . 48.8 mtmt -63.43 -37.89 89.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.952 0.406 . . . . 0.0 111.96 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.449 ' NH2' ' HA ' ' A' ' 94' ' ' ASP . 48.9 mtt180 -92.06 -36.03 13.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.834 -168.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.463 ' HB3' HG23 ' A' ' 50' ' ' THR . 26.7 ptt? -83.01 130.01 35.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.11 0.481 . . . . 0.0 111.008 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -115.19 135.76 53.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.786 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.566 HD11 HD22 ' A' ' 40' ' ' LEU . 43.3 mt -95.6 128.76 42.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.171 -173.009 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.497 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 63.8 m-85 -129.23 137.98 51.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.415 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -123.45 112.57 17.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.151 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.2 t 65.79 -88.67 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 O-C-N 123.611 0.57 . . . . 0.0 110.051 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.77 9.56 3.67 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 173.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.4 mt -98.34 126.58 51.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.111 -0.545 . . . . 0.0 110.513 -176.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -80.45 120.02 23.9 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.925 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.3 mt -80.66 80.3 7.14 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.93 -33.57 13.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.1 -175.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.479 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 59.3 m-20 -71.82 96.67 1.68 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.086 0.469 . . . . 0.0 110.663 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.592 ' OD2' ' HB3' ' A' ' 38' ' ' SER . 17.2 t70 -66.52 -27.54 67.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.541 -178.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -82.21 -11.38 58.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.527 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -85.67 164.79 17.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 111.494 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.554 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 1.8 m-20 -106.31 166.99 10.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.467 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.635 HD11 HD13 ' A' ' 40' ' ' LEU . 56.5 mt -64.1 -38.63 91.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.855 0.36 . . . . 0.0 111.318 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -59.36 -27.95 66.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.111 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.554 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 6.1 mm-40 -59.97 -33.33 71.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.79 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.479 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 62.5 m-85 -97.29 -5.57 36.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.931 0.396 . . . . 0.0 110.712 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.01 26.42 53.16 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.31 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.487 HD11 HD21 ' A' ' 71' ' ' LEU . 52.7 mt -70.6 113.46 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.156 0.503 . . . . 0.0 110.558 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 t -103.38 -168.43 1.51 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.133 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -78.0 151.03 33.79 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 177.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 70.9 22.15 4.78 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.615 0.721 . . . . 0.0 109.85 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -75.96 126.31 30.76 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.514 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.505 ' HG2' ' HE3' ' A' ' 21' ' ' LYS . 60.6 mt-10 -85.78 99.63 11.48 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.41 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.2 mm -84.75 111.91 21.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.427 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 t -91.54 112.18 25.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.779 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.3 t -98.8 109.94 25.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.188 0.518 . . . . 0.0 110.184 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.497 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 39.3 m-85 -90.91 109.49 20.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.253 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.409 HD22 HG23 ' A' ' 50' ' ' THR . 16.8 mt -82.95 108.33 16.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.126 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -82.37 -4.96 58.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.99 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.4 t -81.99 78.2 8.72 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.886 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.4 pt -66.87 -33.32 62.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.875 174.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -75.94 97.36 3.96 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 170.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -83.67 104.37 13.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.687 0.756 . . . . 0.0 112.398 -170.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -145.14 -158.3 0.88 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.586 -1.188 . . . . 0.0 108.418 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -84.61 -71.72 0.5 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 174.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.449 ' HA ' ' NH2' ' A' ' 54' ' ' ARG . 32.9 t70 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.071 -0.966 . . . . 0.0 109.039 178.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.42 ' HA2' ' OG ' ' A' ' 38' ' ' SER . . . 162.24 130.94 1.16 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.836 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -158.13 163.55 37.48 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.476 0.311 . . . . 0.0 110.452 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -112.75 88.36 2.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.32 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -82.51 97.46 8.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.204 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -74.19 115.76 14.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.032 0.444 . . . . 0.0 110.059 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -116.67 153.02 33.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -142.79 86.13 1.92 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 170.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -66.06 118.25 9.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.427 -171.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -77.29 -18.39 57.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.722 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.97 160.7 27.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.269 176.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.36 102.14 2.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.066 0.46 . . . . 0.0 110.285 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 p -127.16 136.65 60.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.986 -177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.434 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -118.69 145.22 45.68 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 175.522 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -67.32 137.48 56.08 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.119 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -99.93 162.39 3.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.748 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.596 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 67.2 m80 -106.75 108.09 19.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.245 -178.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.8 m -97.12 146.05 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.688 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.0 m -103.08 112.33 25.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.406 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.9 t -94.61 119.16 42.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.635 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.759 ' HD2' ' HG2' ' A' ' 81' ' ' GLU . 39.8 mtpt -99.65 107.24 19.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.997 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.528 ' HZ ' ' SD ' ' A' ' 55' ' ' MET . 1.1 m-85 -115.05 150.72 44.72 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.385 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.46 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 15.9 Cg_endo -60.31 -24.95 79.03 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.381 2.054 . . . . 0.0 110.88 170.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 m -72.21 -50.76 24.98 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.397 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -169.66 173.98 6.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.872 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -123.71 126.05 45.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 175.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -142.38 167.61 21.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.808 0.337 . . . . 0.0 111.488 -174.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -110.77 141.24 44.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.541 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.0 t -127.73 142.96 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.369 -0.378 . . . . 0.0 109.983 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.596 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 46.7 mt-10 -94.85 120.25 34.76 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.379 0.609 . . . . 0.0 110.344 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.558 HG11 HD11 ' A' ' 40' ' ' LEU . 11.5 m -136.96 152.17 28.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.309 -178.287 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.497 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 11.4 t70 -75.12 155.82 36.65 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.486 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -70.39 -33.24 71.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.217 0.532 . . . . 0.0 110.235 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.7 p -93.9 13.63 22.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.35 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.543 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 24.5 tt0 -73.58 141.99 46.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.467 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.9 p -85.45 154.57 21.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.615 0.245 . . . . 0.0 111.074 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.568 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 60.9 t -58.61 -29.95 40.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.07 0.462 . . . . 0.0 110.643 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.588 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 7.8 t -62.15 -42.06 98.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.498 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.1 m -71.9 -33.64 68.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.008 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.639 HD13 HD11 ' A' ' 71' ' ' LEU . 11.6 tp -60.43 -52.2 66.22 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.854 178.044 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -57.68 -44.52 85.84 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.942 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.497 ' O ' HG13 ' A' ' 46' ' ' ILE . 23.3 t70 -56.6 -48.39 77.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.977 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.474 ' NZ ' ' HA ' ' A' ' 31' ' ' VAL . 93.8 mttt -59.35 -48.56 81.16 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.42 179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 40' ' ' LEU . 64.3 mt -61.14 -38.07 78.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.598 -178.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -64.06 -29.92 71.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.387 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.497 HG13 ' O ' ' A' ' 42' ' ' ASP . 83.7 mt -75.67 -37.0 35.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.994 0.426 . . . . 0.0 110.615 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -78.79 -51.53 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.4 141.36 32.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.916 -177.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -81.89 40.48 0.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.191 0.52 . . . . 0.0 110.883 -175.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.5 m -116.64 117.56 37.79 Favored Pre-proline 0 N--CA 1.447 -0.594 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.814 -178.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.528 ' HD2' ' HD2' ' A' ' 54' ' ' ARG . 72.2 Cg_exo -51.06 141.87 36.36 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.316 2.677 . . . . 0.0 112.451 173.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.38 -28.44 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.649 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -65.46 -20.32 66.31 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.528 ' HD2' ' HD2' ' A' ' 51' ' ' PRO . 99.1 mtt180 -91.34 -40.25 11.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.883 0.373 . . . . 0.0 111.075 -176.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.528 ' SD ' ' HZ ' ' A' ' 22' ' ' PHE . 26.5 ptt? -93.04 123.87 36.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.904 -174.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -106.56 133.69 50.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.954 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.2 mt -93.35 128.49 39.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.535 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 77.4 m-85 -128.59 139.48 52.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.71 176.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.448 ' CD2' HG12 ' A' ' 76' ' ' ILE . 33.7 t80 -137.21 115.71 11.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.21 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.421 ' HG ' ' C ' ' A' ' 59' ' ' TYR . 74.7 p 52.83 32.3 12.11 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.503 0.721 . . . . 0.0 111.78 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.81 0.57 83.59 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.919 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.1 mt -91.3 126.43 43.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -81.51 117.6 22.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.121 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.2 mt -82.54 75.57 9.44 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.62 -21.3 18.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.008 -175.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.428 ' HB2' ' CD ' ' A' ' 69' ' ' ARG . 69.3 m-20 -98.25 112.35 24.37 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.337 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.588 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 15.8 m-20 -76.27 -20.37 57.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.714 -175.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -87.48 -8.85 55.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.0 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.461 ' HD3' ' OH ' ' A' ' 74' ' ' TYR . 14.3 mtp180 -81.94 151.7 27.1 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 120.906 0.384 . . . . 0.0 110.248 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.543 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 2.9 m-20 -85.79 158.26 20.04 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.158 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.639 HD11 HD13 ' A' ' 40' ' ' LEU . 74.6 mt -65.77 -34.88 79.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.883 0.373 . . . . 0.0 110.826 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -64.74 -27.57 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.997 178.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.543 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 11.2 mm-40 -57.93 -43.62 86.4 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.083 0.468 . . . . 0.0 110.264 177.275 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.461 ' OH ' ' HD3' ' A' ' 69' ' ' ARG . 90.6 m-85 -78.97 -10.75 59.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.874 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.86 30.77 22.62 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.987 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.448 HG12 ' CD2' ' A' ' 59' ' ' TYR . 49.7 mt -79.11 113.71 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.032 0.444 . . . . 0.0 110.729 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.5 t -106.51 -171.39 1.88 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.522 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -71.19 149.58 46.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.669 0.271 . . . . 0.0 110.484 178.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.0 t80 66.61 26.41 9.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.799 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 p -74.28 125.14 27.8 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.226 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.759 ' HG2' ' HD2' ' A' ' 21' ' ' LYS . 30.4 tt0 -90.73 106.19 18.34 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.206 0.527 . . . . 0.0 110.005 -176.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.0 mm -90.52 112.73 25.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.004 -178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.2 t -88.48 114.87 27.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.673 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.411 HG11 ' CZ ' ' A' ' 22' ' ' PHE . 62.0 t -92.22 112.16 25.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.176 0.512 . . . . 0.0 110.624 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.535 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 51.9 m-85 -99.51 121.32 40.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.646 176.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.448 HD21 ' HA ' ' A' ' 55' ' ' MET . 41.4 mt -88.8 145.8 25.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.965 0.412 . . . . 0.0 110.655 -177.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.664 ' HE2' ' HA ' ' A' ' 87' ' ' LYS . 11.0 mmpt? -73.38 -170.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.092 176.133 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.2 m -69.81 103.89 2.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.027 0.442 . . . . 0.0 109.837 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 37.2 pt -109.68 164.32 6.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.593 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -83.62 151.71 25.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.246 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -73.31 147.34 44.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.722 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.68 168.47 18.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.645 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.08 162.06 41.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.493 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.747 -0.644 . . . . 0.0 109.997 178.236 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.483 ' HA ' HD12 ' A' ' 46' ' ' ILE . 24.8 ttt . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.24 -137.58 15.17 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.973 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -128.03 129.34 46.53 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -86.72 145.03 26.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.282 0.563 . . . . 0.0 112.513 -174.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -106.32 82.69 1.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.264 -0.88 . . . . 0.0 108.664 168.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -152.16 80.99 1.26 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.28 -171.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 177.3 28.58 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.595 174.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -100.28 28.38 5.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.004 0.43 . . . . 0.0 111.694 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -138.65 140.98 39.07 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.458 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -92.56 143.87 25.9 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 66.42 25.24 10.31 Favored 'General case' 0 N--CA 1.462 0.174 0 O-C-N 123.685 0.615 . . . . 0.0 109.972 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.76 -176.47 5.84 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.046 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.89 138.32 22.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.981 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -100.61 129.96 46.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.845 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.57 138.44 58.41 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.897 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.7 pt -93.76 143.74 10.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 121.148 0.499 . . . . 0.0 109.842 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.613 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 77.8 m80 -95.19 103.25 15.1 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.005 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -90.89 143.54 11.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -177.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.3 m -93.12 109.99 21.48 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.064 177.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.43 113.75 28.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.16 0.505 . . . . 0.0 110.437 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -97.74 108.64 21.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.599 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -102.78 153.02 38.52 Favored Pre-proline 0 C--N 1.317 -0.847 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 170.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -58.78 -25.12 74.81 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.443 2.095 . . . . 0.0 111.554 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 m -82.04 -54.66 5.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.052 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -153.68 172.02 17.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.05 0.452 . . . . 0.0 111.328 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -120.93 139.34 53.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.991 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -153.46 162.98 40.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.454 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 m -106.37 142.77 35.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.9 t -127.96 140.51 48.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.271 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.613 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 50.6 mt-10 -87.38 119.55 27.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.58 0.705 . . . . 0.0 110.488 175.344 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.552 HG13 HD12 ' A' ' 40' ' ' LEU . 35.7 m -132.67 147.16 31.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.423 177.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.414 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 11.8 t70 -70.0 155.57 40.4 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -76.27 -19.29 58.45 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.102 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.0 p -100.57 14.07 32.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.049 173.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.462 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 3.9 tp10 -60.14 133.76 56.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.239 175.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.446 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 4.7 p -72.23 152.86 41.92 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.38 175.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.523 HG13 ' HE3' ' A' ' 41' ' ' LYS . 40.7 t -60.97 -31.21 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.659 0.743 . . . . 0.0 109.317 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 t -61.09 -40.18 92.72 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.594 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 50.0 m -79.74 -25.29 41.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.474 -175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 57' ' ' LEU . 16.5 tp -60.55 -52.15 66.42 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 173.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.523 ' HE3' HG13 ' A' ' 37' ' ' VAL . 82.1 mttt -63.99 -39.73 94.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.535 176.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.429 ' O ' HG13 ' A' ' 46' ' ' ILE . 18.1 t70 -56.47 -50.63 71.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.38 -176.606 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -71.65 -33.01 68.54 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 40' ' ' LEU . 77.0 mt -63.0 -35.73 72.77 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 172.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -68.92 -29.03 67.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.894 0.378 . . . . 0.0 111.26 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 1' ' ' MET . 82.9 mt -75.37 -40.63 42.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.802 0.335 . . . . 0.0 110.532 178.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.5 t -77.56 -51.27 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.207 0.527 . . . . 0.0 110.814 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -101.21 148.38 25.17 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.153 -176.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -87.3 13.33 9.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.965 0.412 . . . . 0.0 111.493 -173.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.432 HG23 ' HB3' ' A' ' 55' ' ' MET . 7.3 m -80.56 129.02 70.35 Favored Pre-proline 0 N--CA 1.446 -0.626 0 CA-C-O 121.064 0.459 . . . . 0.0 111.076 -178.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.76 135.55 69.94 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.982 2.455 . . . . 0.0 112.053 172.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.515 HG23 ' HB3' ' A' ' 41' ' ' LYS . 53.1 mt -61.12 -37.17 76.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.089 -176.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -69.19 -14.7 63.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -107.53 -30.63 8.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.432 ' HB3' HG23 ' A' ' 50' ' ' THR . 26.0 ptt? -87.94 114.27 24.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.277 0.56 . . . . 0.0 110.646 176.188 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -103.11 134.45 46.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.501 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.586 HD11 HD22 ' A' ' 40' ' ' LEU . 18.6 mt -94.32 128.3 40.74 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.111 -176.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.591 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 48.5 m-85 -119.26 129.62 55.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.015 0.435 . . . . 0.0 111.045 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -126.01 120.45 30.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.792 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t 65.23 -92.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.54 0.525 . . . . 0.0 109.717 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.93 19.79 3.27 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 174.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 42.1 mt -120.57 132.32 70.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.621 -0.29 . . . . 0.0 110.432 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.591 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 15.3 pt-20 -85.36 138.65 32.14 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 171.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.4 mt -82.08 73.77 9.1 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.627 0.727 . . . . 0.0 110.17 -174.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.74 -43.91 52.5 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.063 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.562 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . 8.4 m-20 -63.79 119.57 10.21 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.009 0.433 . . . . 0.0 109.948 178.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -96.1 -27.77 14.92 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.944 -174.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -86.52 -3.76 59.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.018 -173.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.562 ' HG3' ' HB3' ' A' ' 66' ' ' ASP . 13.4 mtp180 -91.24 168.47 11.58 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.835 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.446 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 8.7 m120 -98.55 160.54 14.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.268 177.719 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.561 HD12 HD11 ' A' ' 40' ' ' LEU . 72.2 mt -63.33 -31.98 73.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.707 0.289 . . . . 0.0 111.516 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -62.44 -27.71 69.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.077 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -58.96 -33.28 70.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.747 0.308 . . . . 0.0 111.489 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.496 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 89.7 m-85 -89.69 -2.82 58.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.134 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.18 31.5 59.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.915 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.5 mt -71.14 128.48 34.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.417 0.627 . . . . 0.0 111.319 -177.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.0 t -103.86 -175.48 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.998 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -85.63 146.86 26.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.648 0.261 . . . . 0.0 110.555 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.9 t80 65.67 25.91 11.51 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.625 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -70.52 134.68 47.93 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.852 176.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -85.51 99.85 11.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.234 0.54 . . . . 0.0 110.798 -176.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.4 mm -90.45 108.09 19.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.506 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.2 t -90.68 115.25 29.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.862 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.54 103.73 14.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.32 0.581 . . . . 0.0 110.514 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.44 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 34.8 m-85 -91.31 114.53 27.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.055 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.2 mt -80.63 124.82 29.31 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.037 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -82.46 4.47 24.16 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.527 0.679 . . . . 0.0 109.914 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.6 t -146.44 118.33 8.17 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.852 178.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.414 HD12 ' H ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -107.84 1.33 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.423 0.63 . . . . 0.0 109.938 178.221 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -66.05 133.78 51.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.166 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 73.43 12.05 4.77 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.751 0.657 . . . . 0.0 112.567 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.91 99.19 7.46 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 172.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -127.6 113.68 16.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.218 -173.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.329 174.832 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.6 mtm . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.689 0.281 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 96.34 170.81 34.83 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.656 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -130.89 133.77 46.18 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.34 130.93 38.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.15 0.5 . . . . 0.0 110.153 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -90.6 136.5 33.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.508 -173.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -156.99 90.9 1.16 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.527 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -65.06 116.21 6.23 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 176.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -135.06 139.71 44.98 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -170.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.6 p -155.45 97.91 1.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.352 173.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -130.31 -24.06 2.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.104 -176.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.41 172.98 7.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.658 -0.247 . . . . 0.0 110.515 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.41 59.48 3.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.302 0.573 . . . . 0.0 110.699 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.05 127.68 54.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.251 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -85.49 104.28 15.13 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -69.22 135.46 50.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.621 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.5 pt -89.05 145.39 7.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.827 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 61.5 m80 -91.24 106.75 18.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.789 177.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -95.35 145.21 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.822 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 82.3 m -100.51 111.09 23.3 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.063 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.34 121.77 43.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.339 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.498 ' HZ1' ' CD ' ' A' ' 81' ' ' GLU . 17.5 mmtp -100.55 101.56 12.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.438 179.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.433 ' CD1' ' HD2' ' A' ' 23' ' ' PRO . 2.5 m-85 -105.17 155.96 36.93 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.903 175.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.433 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 16.0 Cg_endo -59.2 -26.02 80.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.236 1.957 . . . . 0.0 111.133 172.428 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.8 m -68.02 -58.91 3.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.482 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -167.23 173.29 9.13 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.163 0.506 . . . . 0.0 111.114 -174.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.4 tt0 -102.71 126.29 49.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.307 174.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -143.95 163.4 33.58 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.014 -0.275 . . . . 0.0 110.843 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -111.96 143.04 43.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.355 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.1 t -129.71 146.19 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.304 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.86 118.14 28.35 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.036 0.446 . . . . 0.0 110.237 174.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.516 HG11 ' CD1' ' A' ' 40' ' ' LEU . 19.6 m -135.09 152.61 32.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.815 177.124 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -76.04 150.75 37.29 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -75.88 -22.27 56.31 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.314 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 p -98.03 14.27 28.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.237 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.4 ' HG3' ' HB2' ' A' ' 39' ' ' SER . 5.4 tp10 -72.04 146.39 47.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.411 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.402 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 1.9 p -82.41 156.28 24.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.271 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.67 -35.96 72.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.868 0.366 . . . . 0.0 110.495 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 t -57.76 -41.2 81.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.266 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.418 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 16.6 m -79.44 -18.45 52.13 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.903 -177.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.801 HD22 HD13 ' A' ' 57' ' ' LEU . 19.0 tp -73.09 -52.44 14.29 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.617 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.32 -33.12 75.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.712 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' O ' HG13 ' A' ' 46' ' ' ILE . 32.4 t70 -54.85 -50.49 68.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.313 175.862 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.43 ' HD2' HG13 ' A' ' 31' ' ' VAL . 59.9 mttp -61.81 -47.2 86.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.148 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 40' ' ' LEU . 65.8 mt -60.05 -39.44 80.35 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.182 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.373 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -66.25 -30.38 70.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.897 0.38 . . . . 0.0 111.135 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 42' ' ' ASP . 90.4 mt -71.97 -34.66 51.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.998 0.427 . . . . 0.0 110.699 177.278 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 68.3 t -81.15 -56.07 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.76 -174.62 4.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.457 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -102.27 -20.18 14.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.682 0.277 . . . . 0.0 111.096 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.52 HG23 HD22 ' A' ' 86' ' ' LEU . 10.5 m -62.27 128.76 91.6 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 121.363 0.601 . . . . 0.0 112.366 -173.386 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.22 146.58 81.17 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.31 2.673 . . . . 0.0 112.287 172.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.91 -32.15 54.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.34 -15.76 59.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.734 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -98.0 -31.23 12.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.943 0.402 . . . . 0.0 111.387 -172.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.482 ' HB3' HG23 ' A' ' 50' ' ' THR . 23.2 ptt? -96.97 133.14 42.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.077 0.465 . . . . 0.0 111.562 -178.251 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.467 ' HB2' ' HD3' ' A' ' 87' ' ' LYS . 4.0 tp-100 -114.17 143.1 45.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.859 177.143 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.801 HD13 HD22 ' A' ' 40' ' ' LEU . 42.6 mt -99.74 130.19 45.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.529 -176.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.527 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 82.6 m-85 -123.68 123.11 39.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.957 0.408 . . . . 0.0 110.83 178.667 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -116.97 110.76 18.69 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.259 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.9 m 61.3 26.86 16.63 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.1 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.68 -15.62 60.69 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.398 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.8 mt -83.78 123.26 38.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.648 0.261 . . . . 0.0 110.846 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -76.45 115.68 16.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.014 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.7 mt -82.0 79.35 8.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.809 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.38 -32.47 19.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.14 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.36 100.73 1.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.249 0.547 . . . . 0.0 110.511 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -72.52 -33.94 67.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.055 -174.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -80.6 -5.21 56.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.552 -175.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.04 160.45 18.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.121 0.486 . . . . 0.0 111.995 -175.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.511 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 3.5 m-20 -91.83 158.9 16.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.936 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.702 HD22 HD23 ' A' ' 40' ' ' LEU . 81.9 mt -69.26 -33.06 72.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.745 0.307 . . . . 0.0 111.265 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -63.1 -28.1 69.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.8 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.511 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 36.6 mm-40 -55.56 -36.1 66.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.136 0.493 . . . . 0.0 110.918 176.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.507 ' HB2' HG13 ' A' ' 76' ' ' ILE . 47.2 m-85 -93.68 3.9 54.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.775 -176.414 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.36 17.59 79.75 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.605 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.507 HG13 ' HB2' ' A' ' 74' ' ' TYR . 64.7 mt -66.7 135.74 27.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.025 0.441 . . . . 0.0 111.35 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.4 t -129.83 -174.18 3.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.64 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -69.12 152.09 45.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.686 0.279 . . . . 0.0 110.94 -179.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.5 t80 71.47 15.5 6.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.673 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.3 p -75.6 141.87 42.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.954 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.498 ' CD ' ' HZ1' ' A' ' 21' ' ' LYS . 36.4 tt0 -101.79 109.43 21.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.147 0.498 . . . . 0.0 110.352 179.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.9 mm -92.88 113.87 28.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.562 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -88.07 119.72 35.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.625 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.19 108.82 24.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.07 0.462 . . . . 0.0 110.994 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.527 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 45.1 m-85 -96.73 133.22 41.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.596 174.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.52 HD22 HG23 ' A' ' 50' ' ' THR . 22.8 mt -96.09 141.01 29.98 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.656 -176.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.515 ' HB3' ' NZ ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -150.88 123.32 8.42 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.96 175.843 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.2 m -83.72 96.83 8.83 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.416 HD11 ' O ' ' A' ' 89' ' ' ILE . 2.6 pp -62.14 140.25 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.285 178.241 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -74.95 94.87 2.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -84.13 112.43 20.23 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.967 -173.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.36 155.27 42.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.639 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -107.07 6.79 29.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.019 0.438 . . . . 0.0 110.616 -177.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.079 179.556 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.9 mmm . . . . . 0 N--CA 1.479 0.975 0 CA-C-O 120.787 0.327 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.17 102.59 0.86 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.586 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -119.88 134.25 55.3 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -99.93 162.94 12.67 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.793 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -85.96 -76.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.677 0.275 . . . . 0.0 110.751 -174.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 52.44 77.3 0.16 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.624 0.726 . . . . 0.0 111.693 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -148.6 138.73 22.38 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.541 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -93.38 19.01 8.78 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.276 0.56 . . . . 0.0 110.397 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -76.76 88.81 3.4 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.525 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -76.35 97.17 4.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.358 0.599 . . . . 0.0 111.392 -176.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.72 97.07 7.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.659 174.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.0 53.57 2.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.511 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.79 158.38 2.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -83.17 98.93 9.62 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 121.275 0.56 . . . . 0.0 110.928 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.586 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -76.8 138.08 39.64 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.308 -0.86 . . . . 0.0 108.703 175.029 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.8 pt -98.45 148.39 6.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-O 121.424 0.631 . . . . 0.0 111.795 -169.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -91.91 109.79 21.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.836 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -99.84 133.98 40.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -92.73 109.78 21.21 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -92.58 117.25 35.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.561 -176.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -99.71 105.64 17.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.242 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -99.25 154.24 37.4 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.056 174.247 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.28 -18.46 52.56 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.619 2.213 . . . . 0.0 111.877 174.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.9 m -85.05 -67.46 0.8 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.215 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.64 174.51 11.37 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.956 0.408 . . . . 0.0 110.759 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -110.81 139.99 45.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.55 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -154.17 164.21 38.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.622 0.249 . . . . 0.0 110.417 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -110.05 140.86 43.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.836 0.351 . . . . 0.0 110.386 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.4 t -125.41 143.49 38.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -98.11 117.42 32.43 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 121.134 0.492 . . . . 0.0 110.53 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.641 HG11 HD13 ' A' ' 40' ' ' LEU . 26.1 m -128.64 159.31 40.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.502 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.428 ' HA ' ' HG3' ' A' ' 15' ' ' LYS . 8.5 t70 -69.44 146.39 52.03 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -75.27 -14.76 60.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.883 0.373 . . . . 0.0 111.117 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.5 p -103.81 14.57 30.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.359 0.599 . . . . 0.0 110.295 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.466 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 10.3 tt0 -75.14 152.03 38.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.211 -176.728 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.479 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 24.9 p -89.88 159.51 16.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.536 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 57.9 t -63.64 -34.32 67.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.084 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.533 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 9.3 t -65.91 -33.91 76.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.477 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.1 t -79.32 -24.13 43.02 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.641 HD13 HG11 ' A' ' 31' ' ' VAL . 15.7 tp -69.79 -52.61 23.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.944 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HB3' HG21 ' A' ' 52' ' ' ILE . 94.9 mttt -62.03 -30.25 70.84 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.056 176.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' HG13 ' A' ' 46' ' ' ILE . 23.3 t70 -60.08 -50.5 73.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.937 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.487 ' HD2' HG13 ' A' ' 31' ' ' VAL . 58.9 mttp -64.69 -41.41 96.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.3 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.4 mt -61.0 -33.88 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.481 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.4 ' CE1' ' HA ' ' A' ' 51' ' ' PRO . 79.6 t60 -69.62 -30.41 68.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.122 177.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 42' ' ' ASP . 74.8 mt -77.58 -36.15 22.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.978 0.418 . . . . 0.0 110.771 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.1 t -81.51 -51.58 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -95.88 154.19 17.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.419 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.47 52.07 2.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.006 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.8 m -137.6 120.81 11.49 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.1 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.4 ' HA ' ' CE1' ' A' ' 45' ' ' HIS . 32.5 Cg_exo -62.21 149.6 89.98 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.897 2.398 . . . . 0.0 111.844 174.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.43 HG21 ' HB3' ' A' ' 41' ' ' LYS . 68.5 mt -63.64 -29.49 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.332 0.586 . . . . 0.0 110.534 -177.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -73.63 -10.5 59.76 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.47 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.735 ' HG3' ' HB2' ' A' ' 88' ' ' SER . 0.2 OUTLIER -103.81 -22.26 13.55 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -178.692 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -115.23 145.57 42.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.971 0.415 . . . . 0.0 111.731 -174.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -123.57 141.29 52.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.762 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.8 mt -98.67 134.23 41.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.787 0.327 . . . . 0.0 110.772 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -122.24 129.37 52.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.673 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -129.43 116.88 19.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.172 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.6 t 61.85 27.89 17.03 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.486 0.66 . . . . 0.0 110.189 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.1 -15.58 60.66 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.11 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 61.8 mt -80.62 126.6 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.623 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -79.1 116.33 19.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.472 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.9 mt -79.27 74.74 5.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.368 0.604 . . . . 0.0 110.673 -176.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.4 -24.01 22.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.081 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.493 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 70.2 m-20 -78.89 94.11 5.15 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 177.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.536 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 33.4 m-20 -71.12 -32.56 69.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.245 0.545 . . . . 0.0 110.947 -177.157 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -72.04 -19.42 61.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.429 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -72.98 153.62 40.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.084 0.469 . . . . 0.0 111.511 -177.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.547 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 3.9 m-20 -89.7 154.75 19.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.772 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.615 HD13 HD12 ' A' ' 40' ' ' LEU . 55.9 mt -64.03 -39.24 93.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.913 0.387 . . . . 0.0 110.823 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -61.52 -27.49 68.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.491 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.547 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 38.4 mt-10 -65.48 -35.87 82.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.614 0.245 . . . . 0.0 110.91 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.493 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 98.1 m-85 -77.17 -28.1 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.33 0.586 . . . . 0.0 109.93 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.26 9.79 28.86 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.274 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.609 ' HB ' ' HB3' ' A' ' 71' ' ' LEU . 62.6 mt -64.92 124.35 19.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.84 0.353 . . . . 0.0 110.218 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.3 t -144.21 -162.86 1.56 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.55 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -55.36 128.46 34.32 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.388 0.675 . . . . 0.0 111.389 -177.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 68.88 31.27 4.37 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.725 0.641 . . . . 0.0 112.262 176.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.2 p -81.63 141.14 33.95 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 174.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -93.77 120.38 33.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.052 0.453 . . . . 0.0 110.51 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.7 mm -110.49 113.91 45.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.789 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.6 t -97.32 127.25 49.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.306 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 56.8 t -104.98 112.04 36.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.977 0.418 . . . . 0.0 110.915 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -101.82 137.65 39.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.781 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.0 mt -99.49 119.76 38.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.741 0.781 . . . . 0.0 110.717 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -89.96 -11.7 40.92 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.077 -177.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.735 ' HB2' ' HG3' ' A' ' 54' ' ' ARG . 28.1 m -145.66 109.8 4.92 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.047 175.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.439 ' O ' HD13 ' A' ' 89' ' ' ILE . 2.7 pp -88.6 139.14 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.05 0.452 . . . . 0.0 110.98 -177.426 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -108.19 148.0 30.53 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.951 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -119.07 -84.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.358 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.93 -21.29 20.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -177.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -155.27 138.85 16.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.409 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 C--O 1.247 0.962 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.299 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.37 156.33 28.75 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.872 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -126.05 24.85 6.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.998 0.428 . . . . 0.0 110.758 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -68.94 118.68 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -76.85 84.82 3.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.741 0.781 . . . . 0.0 110.549 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -146.59 104.2 3.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.579 176.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -122.38 101.86 7.76 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.606 0.717 . . . . 0.0 110.074 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -143.77 130.65 20.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.069 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.9 m -136.49 126.21 25.56 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.09 0.471 . . . . 0.0 110.786 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -82.38 -21.84 35.68 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.08 133.76 34.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.792 175.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.48 115.15 23.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.873 0.368 . . . . 0.0 110.957 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.1 p -152.12 141.13 14.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.891 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -101.23 123.48 45.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.815 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -71.95 139.85 48.89 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.8 pt -97.52 145.86 8.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.347 0.594 . . . . 0.0 111.452 -171.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.638 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 73.7 m80 -98.94 102.68 14.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.3 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.1 m -86.74 134.85 26.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.062 0.458 . . . . 0.0 110.538 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.484 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 29.1 m -90.85 110.03 21.24 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.1 t -92.67 112.06 25.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.932 0.396 . . . . 0.0 110.211 -176.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.617 ' HE2' ' HB3' ' A' ' 81' ' ' GLU . 66.8 mttm -97.81 108.8 21.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.272 -177.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -101.5 154.4 37.27 Favored Pre-proline 0 C--N 1.319 -0.756 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 172.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.4 -15.01 45.77 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.505 2.137 . . . . 0.0 112.526 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.5 m -116.88 -11.3 10.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -165.79 173.28 10.81 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.841 0.353 . . . . 0.0 110.927 -176.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.495 ' OE1' ' HG2' ' A' ' 21' ' ' LYS . 29.8 tt0 -148.48 126.7 12.17 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -141.14 175.23 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.313 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -118.38 143.58 46.54 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.1 t -125.6 136.21 61.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.638 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 46.2 mt-10 -93.22 113.67 25.94 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.577 0.703 . . . . 0.0 110.369 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.599 HG11 HD11 ' A' ' 40' ' ' LEU . 28.3 m -131.45 148.53 32.67 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.833 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -68.99 161.1 29.67 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.195 0.521 . . . . 0.0 110.965 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.432 ' HE ' ' HB2' ' A' ' 33' ' ' ARG . 7.5 ttm180 -73.53 -26.43 60.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.405 0.621 . . . . 0.0 110.242 -177.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.3 p -99.33 13.85 31.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.522 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.12 143.09 54.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.864 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.0 p -78.86 152.18 31.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.747 0.308 . . . . 0.0 110.537 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.527 HG11 ' HE3' ' A' ' 41' ' ' LYS . 22.0 t -60.71 -32.96 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.07 0.462 . . . . 0.0 110.107 177.777 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.54 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 2.2 t -69.2 -31.8 70.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.271 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.1 t -79.17 -30.39 43.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.692 HD23 HD12 ' A' ' 57' ' ' LEU . 20.5 tp -59.1 -52.45 65.67 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.336 173.752 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.527 ' HE3' HG11 ' A' ' 37' ' ' VAL . 87.8 mttt -56.62 -45.59 81.41 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.966 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.489 ' O ' HG13 ' A' ' 46' ' ' ILE . 33.5 t70 -62.14 -45.02 95.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.022 -176.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -64.7 -40.35 95.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.412 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.434 HG13 ' O ' ' A' ' 40' ' ' LEU . 77.4 mt -63.63 -37.04 78.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.891 0.377 . . . . 0.0 110.2 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -64.29 -28.68 69.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.993 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.5 mt -75.42 -31.66 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.962 0.41 . . . . 0.0 110.332 177.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.2 t -82.23 -54.48 9.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.114 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.8 153.69 18.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.686 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -83.64 -1.93 55.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.828 0.347 . . . . 0.0 111.54 -175.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.463 HG21 ' HD3' ' A' ' 54' ' ' ARG . 97.6 m -73.27 126.23 90.31 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.139 0.495 . . . . 0.0 111.676 -178.592 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HG2' ' HB2' ' A' ' 54' ' ' ARG . 8.7 Cg_endo -55.33 148.47 50.96 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.072 2.515 . . . . 0.0 112.334 173.442 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.61 -25.85 37.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.78 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -75.74 -23.23 56.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.829 -179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.545 ' HB2' ' HG2' ' A' ' 51' ' ' PRO . 36.7 ttt180 -88.53 -29.46 20.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.006 -174.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.407 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 25.8 ptt? -106.78 134.8 49.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.008 -175.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.546 HE21 ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -119.14 133.16 55.94 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.948 178.685 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.692 HD12 HD23 ' A' ' 40' ' ' LEU . 22.3 mt -86.27 131.82 34.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.5 -176.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.545 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 59.5 m-85 -128.78 123.59 33.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.032 0.444 . . . . 0.0 110.901 176.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -107.21 126.76 52.83 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 174.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.4 p 55.59 -95.85 0.06 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.826 0.704 . . . . 0.0 110.835 -173.027 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -133.98 24.01 3.66 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.65 132.43 71.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.275 -0.463 . . . . 0.0 110.311 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.545 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -83.23 140.32 32.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.277 0.56 . . . . 0.0 110.818 -179.542 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.611 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 49.7 mt -93.61 73.39 4.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.052 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.52 -30.05 37.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.429 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.76 156.97 31.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.628 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.54 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 24.6 m-20 -114.68 -33.72 5.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.986 176.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -79.07 -14.24 59.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.856 -176.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.453 ' O ' HG23 ' A' ' 37' ' ' VAL . 2.5 mmp_? -77.19 153.56 33.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.983 0.421 . . . . 0.0 110.96 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -102.63 150.87 23.0 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.333 175.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.671 HD13 HD13 ' A' ' 40' ' ' LEU . 75.7 mt -59.21 -38.97 81.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.751 -176.066 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -62.6 -28.13 69.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.53 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -67.37 -26.87 66.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.935 0.397 . . . . 0.0 110.81 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -83.58 -6.36 59.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.832 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.57 21.91 52.33 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.512 -176.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.1 mt -79.36 137.44 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.347 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.4 t -138.46 -171.01 2.95 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.329 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -54.58 128.96 34.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 122.986 0.514 . . . . 0.0 111.598 -178.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.531 ' HA ' ' O ' ' A' ' 17' ' ' HIS . 33.5 m-85 57.41 59.59 3.25 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.202 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.1 p -94.54 131.31 40.41 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.588 170.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.617 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 51.4 mt-10 -84.63 117.6 23.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.168 0.509 . . . . 0.0 110.544 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.4 mm -104.12 117.27 49.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.658 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.472 HG21 ' HD2' ' A' ' 21' ' ' LYS . 33.3 t -89.34 119.75 36.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.407 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 61.8 t -102.34 106.89 20.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.104 0.478 . . . . 0.0 110.645 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.494 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 67.8 m-85 -90.88 130.53 36.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.599 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.8 mt -97.19 143.51 27.92 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.878 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -82.06 50.24 1.53 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.725 0.774 . . . . 0.0 109.917 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 m -83.99 94.33 8.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.886 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.3 pt -92.59 7.15 5.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.569 0.699 . . . . 0.0 109.704 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -111.72 117.4 32.77 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.08 -177.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -66.44 -45.29 80.31 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 172.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.15 76.48 9.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.245 172.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -84.68 159.41 20.56 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.126 -175.319 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.306 -0.854 . . . . 0.0 109.949 175.418 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.0 mtt . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.8 100.16 2.29 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.013 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -81.85 102.32 10.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.331 0.586 . . . . 0.0 110.262 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -80.93 82.92 6.78 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.172 -176.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -90.73 29.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.471 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -81.76 99.44 8.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.589 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -101.48 135.65 42.63 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -76.99 106.65 8.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.123 0.487 . . . . 0.0 111.07 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.5 t -86.13 169.98 12.61 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 173.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.73 0.85 28.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.666 0.269 . . . . 0.0 110.698 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.96 11.85 8.55 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.834 175.345 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.01 56.95 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 176.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -59.37 140.22 17.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.496 -172.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.493 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 3.4 mmp_? -137.03 94.89 3.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.415 177.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.537 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -61.5 154.36 24.83 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.123 -1.399 . . . . 0.0 111.931 -171.789 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.476 HG21 ' HG2' ' A' ' 33' ' ' ARG . 9.2 pt -110.5 154.28 12.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.16 170.345 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.464 ' H ' ' CB ' ' A' ' 78' ' ' GLU . 0.3 OUTLIER -98.02 84.92 3.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.161 0.505 . . . . 0.0 109.791 -176.818 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.6 m -83.33 138.43 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.84 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.0 m -94.81 110.13 22.03 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.999 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.5 113.94 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.015 0.436 . . . . 0.0 110.046 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.525 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 49.8 mtpt -102.38 99.25 9.3 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.042 -176.145 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.559 ' HE2' HG21 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -99.58 149.98 36.38 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.098 178.826 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.503 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 34.5 Cg_exo -59.24 -24.95 76.41 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.321 2.014 . . . . 0.0 111.454 173.21 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.1 p -80.51 -68.92 0.64 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.332 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -137.4 175.73 9.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.139 0.495 . . . . 0.0 111.061 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -122.11 131.31 53.9 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.604 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -147.75 151.1 35.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.0 110.914 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.51 135.92 44.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.125 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -123.87 144.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.627 0.251 . . . . 0.0 110.712 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -91.46 106.4 18.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.087 0.47 . . . . 0.0 110.32 172.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.531 HG12 ' HE2' ' A' ' 43' ' ' LYS . 22.9 m -123.11 149.01 26.77 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.537 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 27.7 t70 -73.71 164.1 27.09 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.276 -0.569 . . . . 0.0 110.494 -178.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.476 ' HG2' HG21 ' A' ' 16' ' ' ILE . 40.1 mtt-85 -74.76 -23.97 58.62 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.781 -176.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.7 p -97.64 13.67 29.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.932 0.396 . . . . 0.0 110.904 177.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.68 143.86 53.31 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.545 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.7 p -88.74 158.97 18.0 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.528 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.6 HG11 HD13 ' A' ' 57' ' ' LEU . 93.2 t -59.53 -37.02 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.475 177.082 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.542 ' OG ' ' HB3' ' A' ' 67' ' ' ASP . 46.3 m -62.75 -44.27 96.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.479 177.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.4 m -79.2 -23.27 43.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.842 0.353 . . . . 0.0 110.287 -175.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.886 HD22 HD12 ' A' ' 57' ' ' LEU . 16.5 tp -64.31 -48.49 75.42 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 173.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.572 ' HG3' HD11 ' A' ' 57' ' ' LEU . 51.7 mtmt -67.13 -32.91 74.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.578 177.59 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.47 ' O ' HG13 ' A' ' 46' ' ' ILE . 22.9 t70 -63.49 -45.42 90.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.971 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.531 ' HE2' HG12 ' A' ' 31' ' ' VAL . 2.7 tptt -55.41 -48.94 73.61 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.528 176.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.559 HG21 ' HE2' ' A' ' 22' ' ' PHE . 75.9 mt -62.15 -42.11 93.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.175 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -62.68 -30.8 71.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.767 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 42' ' ' ASP . 85.2 mt -68.67 -33.41 59.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.905 0.384 . . . . 0.0 110.786 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.5 t -85.21 -51.69 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.153 0.502 . . . . 0.0 110.825 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -83.85 -175.15 5.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.676 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -110.46 -18.8 13.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.188 0.518 . . . . 0.0 110.203 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.1 m -67.33 125.64 91.38 Favored Pre-proline 0 N--CA 1.449 -0.496 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.86 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.755 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 38.6 Cg_exo -58.31 147.73 83.17 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.233 2.622 . . . . 0.0 112.018 173.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.519 ' HA ' ' HE3' ' A' ' 55' ' ' MET . 70.2 mt -59.64 -37.61 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.21 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.83 -21.28 66.36 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.755 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 3.8 mpt_? -97.22 -15.84 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.519 ' HE3' ' HA ' ' A' ' 52' ' ' ILE . 24.6 ptt? -115.31 137.72 51.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.851 0.358 . . . . 0.0 111.321 -174.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -121.46 146.62 46.73 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.886 HD12 HD22 ' A' ' 40' ' ' LEU . 21.9 mt -91.33 133.52 35.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.683 -175.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.601 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 29.0 m-85 -125.27 127.53 46.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.97 0.414 . . . . 0.0 110.579 176.544 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -130.63 114.18 15.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.493 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.5 m 59.81 32.4 21.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.598 175.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.36 -2.59 83.38 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.9 mt -106.11 121.77 58.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.601 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 19.5 pt-20 -81.74 132.95 35.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.447 0.641 . . . . 0.0 110.033 177.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.482 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 24.6 mt -86.97 85.15 7.24 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.139 -178.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.28 -35.82 18.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.671 -173.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -78.92 111.4 15.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.22 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.542 ' HB3' ' OG ' ' A' ' 38' ' ' SER . 1.6 m-20 -63.85 -40.3 96.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.364 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -70.75 -6.94 41.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.401 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -79.34 156.03 28.19 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.18 0.514 . . . . 0.0 111.643 -176.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.549 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 12.8 m120 -103.43 158.09 16.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.375 177.582 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.699 HD22 HD23 ' A' ' 40' ' ' LEU . 58.7 mt -66.82 -32.96 74.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.895 0.379 . . . . 0.0 111.387 -178.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -66.44 -27.65 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.628 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.549 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 8.7 mm-40 -65.06 -34.75 79.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.958 0.409 . . . . 0.0 110.553 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -86.69 -22.25 26.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.714 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.61 40.9 5.22 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.254 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.594 HD13 HD21 ' A' ' 71' ' ' LEU . 54.4 mt -88.09 130.98 36.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.721 0.296 . . . . 0.0 110.716 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.4 t -121.34 -172.94 2.51 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.39 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.464 ' CB ' ' H ' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -81.77 27.96 0.43 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.043 0.449 . . . . 0.0 112.141 -174.799 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -141.25 25.29 2.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.525 0.679 . . . . 0.0 109.332 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.1 p -92.22 140.94 29.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.185 -172.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -101.74 98.44 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.058 172.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.6 mm -84.48 99.85 7.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.464 0.649 . . . . 0.0 109.573 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.525 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 39.0 t -85.64 115.46 27.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.91 -176.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.469 HG12 ' CZ ' ' A' ' 22' ' ' PHE . 91.4 t -90.65 113.41 26.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.819 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.408 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 24.5 m-85 -102.83 129.16 49.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.665 176.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.4 mt -99.62 122.87 43.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.932 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -74.32 100.65 3.81 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.0 m -82.95 43.09 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.326 -169.717 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.0 pt -69.8 -22.91 25.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.852 0.834 . . . . 0.0 109.074 170.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -115.82 83.52 1.95 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 169.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.443 HH11 ' HD3' ' A' ' 91' ' ' ARG . 21.1 ttm-85 -102.48 125.59 49.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.449 -172.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -149.77 92.31 1.9 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.627 174.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.85 108.56 8.8 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -177.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.1 t70 . . . . . 0 C--O 1.246 0.899 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.684 -179.812 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -100.95 145.55 17.09 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.258 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -77.52 -27.55 51.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.688 0.28 . . . . 0.0 110.457 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -141.12 109.29 5.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.579 0.704 . . . . 0.0 111.45 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -120.13 76.2 1.15 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.819 172.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 8' ' ' HIS . 7.6 t60 -86.53 96.48 10.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.971 -173.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -82.04 74.59 9.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.367 0.603 . . . . 0.0 110.882 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.482 ' HB2' ' CD2' ' A' ' 6' ' ' HIS . 21.6 m-70 -163.84 172.63 13.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.075 -0.966 . . . . 0.0 108.834 177.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.6 m -71.5 163.0 28.55 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 171.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -82.71 164.52 20.64 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.229 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.59 146.73 52.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.675 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.1 80.31 8.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.309 0.576 . . . . 0.0 110.144 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.9 p -153.06 150.6 12.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.471 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -100.28 127.24 46.62 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.925 0.393 . . . . 0.0 110.559 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.1 137.98 41.77 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.8 pt -99.74 147.24 7.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.067 -175.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.655 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 72.0 m80 -93.46 99.29 11.8 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.807 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -89.06 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.019 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 m -94.32 109.88 21.68 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.943 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.21 119.61 47.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.918 0.39 . . . . 0.0 110.541 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.66 ' HE2' HG21 ' A' ' 83' ' ' VAL . 38.7 mtmt -107.73 113.02 25.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.391 -178.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -96.1 160.42 29.97 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 171.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.51 -1.35 3.82 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 122.427 2.085 . . . . 0.0 112.117 177.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.4 m -108.81 -58.45 2.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.81 173.95 12.32 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.806 0.336 . . . . 0.0 111.261 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.467 HE21 ' HG2' ' A' ' 21' ' ' LYS . 34.5 tt0 -118.74 141.11 48.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.44 -177.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -150.64 173.77 13.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.274 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 m -117.11 142.43 47.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.613 0.244 . . . . 0.0 110.547 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.0 t -125.98 141.25 46.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.16 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.655 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 48.9 mt-10 -90.51 111.55 22.87 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.084 0.468 . . . . 0.0 110.28 175.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.501 HG13 ' HG3' ' A' ' 43' ' ' LYS . 35.7 m -130.59 149.35 33.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.86 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -67.2 152.69 45.28 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.328 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -70.94 -32.23 69.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.415 0.626 . . . . 0.0 109.552 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.5 p -91.67 11.16 25.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.289 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.542 ' HG3' ' HB3' ' A' ' 39' ' ' SER . 4.9 tp10 -66.9 139.99 57.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.914 176.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.7 p -83.47 156.71 22.74 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.768 0.318 . . . . 0.0 111.078 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.1 t -56.99 -35.33 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.175 0.512 . . . . 0.0 110.878 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.9 p -71.25 -29.27 64.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.882 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.542 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 8.5 t -80.35 -28.48 38.04 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.7 HD22 HD11 ' A' ' 57' ' ' LEU . 21.8 tp -61.42 -47.46 85.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.5 174.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.484 ' HB3' HG23 ' A' ' 52' ' ' ILE . 90.5 mttt -58.11 -40.82 82.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.357 175.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' HG13 ' A' ' 46' ' ' ILE . 17.7 t70 -58.14 -46.66 85.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.6 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.501 ' HG3' HG13 ' A' ' 31' ' ' VAL . 72.6 mmtt -57.07 -51.1 70.61 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.608 177.836 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 61.0 mt -61.96 -33.88 60.3 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.122 -177.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -69.87 -29.53 66.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.762 0.315 . . . . 0.0 111.071 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 42' ' ' ASP . 74.2 mt -76.89 -37.18 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.189 0.518 . . . . 0.0 110.464 177.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.3 t -79.6 -53.76 12.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.182 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.14 171.64 9.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.771 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -98.99 4.39 47.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.217 0.532 . . . . 0.0 110.29 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 7.9 m -78.51 124.43 85.41 Favored Pre-proline 0 N--CA 1.445 -0.684 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.185 -177.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.75 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 31.9 Cg_exo -60.64 139.2 84.57 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.643 2.229 . . . . 0.0 111.112 171.115 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.535 ' HA ' ' HE3' ' A' ' 55' ' ' MET . 61.4 mt -57.49 -35.51 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.533 -177.166 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -71.11 -10.19 59.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.143 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.75 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 2.9 mpt_? -96.76 -24.71 15.81 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -176.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.535 ' HE3' ' HA ' ' A' ' 52' ' ' ILE . 23.4 ptt? -110.93 138.11 47.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.33 0.586 . . . . 0.0 112.408 -170.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -111.18 140.37 45.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.721 177.311 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.7 HD11 HD22 ' A' ' 40' ' ' LEU . 58.4 mt -101.85 129.89 48.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.049 -175.233 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -126.82 121.64 32.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.002 0.43 . . . . 0.0 111.043 177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.416 ' O ' HG12 ' A' ' 62' ' ' ILE . 39.9 t80 -104.32 104.38 14.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.084 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.7 m 62.36 8.95 3.03 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.878 0.37 . . . . 0.0 111.71 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.16 -16.89 11.77 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.79 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 59' ' ' TYR . 12.9 mm -77.9 115.14 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.86 117.16 13.11 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.73 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.478 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 41.0 mt -79.26 82.32 5.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.535 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.68 6.69 34.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.402 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -107.71 91.19 3.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.28 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -61.36 -28.39 69.19 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -176.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -86.17 3.0 44.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.913 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -95.94 151.72 19.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.133 0.492 . . . . 0.0 111.254 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.531 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 3.9 m-20 -88.13 152.25 22.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.97 174.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.546 HD13 HD11 ' A' ' 40' ' ' LEU . 67.8 mt -58.04 -37.28 74.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.65 0.738 . . . . 0.0 109.523 176.483 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -56.08 -29.51 60.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.362 176.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.531 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 9.8 mm-40 -66.27 -36.52 83.2 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.54 -178.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.441 ' HB2' HG13 ' A' ' 76' ' ' ILE . 98.4 m-85 -80.27 -11.59 59.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.39 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.47 24.01 37.89 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.855 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.441 HG13 ' HB2' ' A' ' 74' ' ' TYR . 58.4 mt -69.83 118.21 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.027 0.442 . . . . 0.0 110.96 -177.504 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.9 t -109.74 -168.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.934 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -75.95 146.34 39.7 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.299 -0.251 . . . . 0.0 110.36 -179.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 64.21 23.31 13.09 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.342 -177.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.7 p -68.44 142.5 55.35 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.28 171.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -94.36 102.99 14.99 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.335 0.588 . . . . 0.0 110.613 -175.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.7 mm -93.85 107.41 19.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.649 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.66 HG21 ' HE2' ' A' ' 21' ' ' LYS . 12.9 t -89.3 120.16 37.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.216 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.43 112.36 37.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.012 0.434 . . . . 0.0 110.697 -178.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -105.36 137.5 43.07 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.549 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.5 mt -97.84 121.74 40.12 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -87.96 -17.91 30.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.603 0.716 . . . . 0.0 109.113 -179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.6 p -144.55 140.72 28.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.047 174.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.4 pt -120.76 129.26 75.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.094 0.473 . . . . 0.0 111.274 -174.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -160.88 125.62 3.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.075 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -81.56 93.09 6.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.42 149.26 24.57 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.552 -173.547 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -89.85 98.27 11.67 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.78 176.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 . . . . . 0 C--O 1.245 0.84 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.922 177.195 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.619 0.247 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.64 144.69 17.36 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.184 174.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -128.27 143.06 50.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -119.42 17.57 12.96 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -169.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 66.54 -78.23 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.831 0.453 . . . . 0.0 111.656 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -88.77 125.71 35.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.321 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -83.07 121.48 27.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.149 0.5 . . . . 0.0 111.935 -172.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -163.65 155.76 17.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.753 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.6 m -59.07 119.86 8.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.029 0.443 . . . . 0.0 111.184 -177.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -87.71 4.64 43.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.478 0.656 . . . . 0.0 110.084 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -135.01 178.48 6.99 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.869 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.95 137.02 58.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.1 p -61.98 124.57 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.499 0.666 . . . . 0.0 110.016 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' HA ' ' HD3' ' A' ' 14' ' ' ARG . 39.9 mmt-85 -121.53 141.16 51.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.735 -172.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.435 ' N ' ' HD2' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -93.32 137.17 32.89 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.194 177.034 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.2 pt -99.41 149.47 5.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.538 -175.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.515 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 66.5 m80 -96.69 97.28 9.22 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.859 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.0 m -86.47 144.35 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.733 -177.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.405 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 24.5 m -99.05 109.39 22.13 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.922 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -96.07 123.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.809 0.337 . . . . 0.0 110.658 -176.394 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -112.23 115.43 28.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.776 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.448 ' C ' ' H ' ' A' ' 24' ' ' SER . 15.2 m-85 -96.94 163.85 19.2 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 172.679 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.95 34.0 0.18 Allowed 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 122.993 2.462 . . . . 0.0 113.464 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.448 ' H ' ' C ' ' A' ' 22' ' ' PHE . 75.7 m -162.37 -31.12 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.509 0.324 . . . . 0.0 111.524 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -149.2 172.21 15.2 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.136 0.493 . . . . 0.0 111.933 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -136.9 131.68 33.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.152 178.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -147.38 160.58 42.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.481 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -103.94 141.88 35.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.722 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -127.27 142.55 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.515 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 56.4 mt-10 -92.38 112.9 25.01 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.271 0.558 . . . . 0.0 110.683 176.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.554 HG13 HD13 ' A' ' 40' ' ' LEU . 20.9 m -128.98 156.96 41.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 CA-C-N 115.103 -0.953 . . . . 0.0 108.963 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -71.49 157.86 37.27 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 120.683 0.278 . . . . 0.0 110.334 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -74.32 -21.75 59.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.39 0.615 . . . . 0.0 110.282 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.4 p -100.29 14.33 31.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.13 176.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.58 138.55 57.68 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.133 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.2 p -82.13 150.5 27.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.56 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 87.5 t -57.72 -34.61 48.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.111 0.481 . . . . 0.0 110.649 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.524 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 25.8 t -63.14 -42.39 99.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.907 178.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 62.9 m -79.55 -21.55 45.0 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.658 HD12 HD11 ' A' ' 71' ' ' LEU . 20.8 tp -62.43 -51.83 65.96 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.521 ' HB3' HG23 ' A' ' 52' ' ' ILE . 96.4 mttt -63.49 -34.85 78.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.325 177.027 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.416 ' O ' HG13 ' A' ' 46' ' ' ILE . 25.5 t70 -60.45 -49.98 75.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.866 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.491 ' HA ' HD11 ' A' ' 46' ' ' ILE . 58.4 mttp -63.01 -37.94 89.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.181 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.9 mt -64.34 -38.05 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.459 176.782 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -62.87 -30.84 71.82 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 111.138 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.491 HD11 ' HA ' ' A' ' 43' ' ' LYS . 79.2 mt -68.68 -31.88 52.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.232 0.539 . . . . 0.0 110.35 178.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.3 t -78.79 -57.61 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.384 0.611 . . . . 0.0 110.317 173.45 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.443 ' C ' ' H ' ' A' ' 50' ' ' THR . 2.8 tp10 -113.18 129.78 56.41 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.876 -172.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.47 22.24 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.443 ' H ' ' C ' ' A' ' 48' ' ' GLU . 23.9 m -79.87 126.42 80.07 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-O 120.851 0.357 . . . . 0.0 110.254 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.559 ' HG2' ' HD2' ' A' ' 54' ' ' ARG . 52.6 Cg_exo -51.76 135.43 49.57 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 123.171 2.58 . . . . 0.0 112.611 175.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.521 HG23 ' HB3' ' A' ' 41' ' ' LYS . 95.7 mt -63.83 -36.57 77.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.864 -174.459 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -71.81 -16.67 62.18 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.559 ' HD2' ' HG2' ' A' ' 51' ' ' PRO . 80.3 mtt180 -95.92 -35.08 11.58 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -174.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -91.23 119.49 31.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.332 0.587 . . . . 0.0 110.711 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -104.3 137.59 41.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.867 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.411 HD11 HD22 ' A' ' 40' ' ' LEU . 59.3 mt -97.55 130.58 44.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.679 -176.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.412 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 76.0 m-85 -120.4 129.8 54.08 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.704 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.525 ' CE1' ' HB3' ' A' ' 80' ' ' SER . 47.3 t80 -122.32 118.2 27.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.306 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.8 m 66.65 -80.91 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 O-C-N 123.78 0.675 . . . . 0.0 110.608 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.32 15.3 1.29 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.9 mt -115.65 128.83 72.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.949 -0.626 . . . . 0.0 110.455 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -80.4 126.56 31.34 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.01 67.77 8.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.31 0.576 . . . . 0.0 109.837 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.54 -35.7 45.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.145 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.543 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 10.2 m-20 -79.66 103.69 9.74 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.56 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 22.2 m-20 -75.97 -23.28 55.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.087 -174.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -84.06 -5.97 59.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.656 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -92.71 161.67 14.46 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.151 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -94.52 152.84 18.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.284 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.658 HD11 HD12 ' A' ' 40' ' ' LEU . 55.4 mt -59.32 -39.86 84.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -175.557 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -62.54 -28.42 69.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.853 -0.158 . . . . 0.0 111.422 -176.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.35 -34.22 77.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.945 0.402 . . . . 0.0 110.939 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.543 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 91.7 m-85 -82.98 -4.97 58.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.378 179.038 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.55 12.7 62.39 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.246 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.429 ' HB ' ' HB3' ' A' ' 71' ' ' LEU . 49.7 mt -74.41 134.36 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.051 0.453 . . . . 0.0 110.705 -177.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -139.57 -164.95 1.78 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.829 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.59 140.3 53.77 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.6 t80 72.87 12.27 5.21 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.303 0.641 . . . . 0.0 110.626 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.525 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 58.5 m -73.67 129.83 38.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.939 173.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.405 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 35.4 tt0 -86.28 122.86 30.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.537 -176.528 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.4 115.79 50.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.773 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.3 t -94.24 126.29 46.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.015 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.8 t -99.64 105.23 17.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.184 0.516 . . . . 0.0 110.959 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.412 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 35.3 m-85 -98.43 122.26 41.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.238 176.558 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.91 121.38 29.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.056 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -76.34 -30.1 57.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.264 0.554 . . . . 0.0 110.534 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.0 m -110.67 104.08 12.72 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.361 176.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 42.1 pt -91.3 -18.43 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.213 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -75.73 108.66 8.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.038 0.447 . . . . 0.0 110.311 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -86.09 158.41 19.81 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.079 -178.655 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.1 -174.12 5.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.121 174.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -99.95 142.38 31.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.087 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.012 177.015 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.99 -132.92 52.79 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.792 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -122.39 39.85 3.81 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -68.88 91.39 0.46 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.963 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -117.92 62.24 0.76 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.531 -173.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -161.07 147.39 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.265 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -107.83 98.82 8.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.774 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -98.98 -6.58 28.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.106 0.479 . . . . 0.0 109.924 176.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.0 t -104.75 140.49 38.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.769 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -118.66 142.68 47.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.27 -168.83 3.22 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.213 -177.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.26 71.85 3.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.345 0.593 . . . . 0.0 110.031 176.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.8 m -75.27 145.8 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.267 -175.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.496 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 4.7 mmp_? -121.61 123.83 42.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.069 0.462 . . . . 0.0 111.067 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' HZ2' ' HB2' ' A' ' 32' ' ' ASP . 45.1 mmtt -83.58 148.71 27.01 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.34 176.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.561 ' HB ' ' HA ' ' A' ' 78' ' ' GLU . 17.3 pt -121.05 151.68 24.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.892 -178.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.623 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 41.4 m80 -98.8 111.89 24.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.08 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -101.97 137.31 30.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -90.61 110.61 21.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.261 179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.1 t -89.97 111.38 23.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.056 0.455 . . . . 0.0 110.407 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.738 ' HE2' ' HB3' ' A' ' 81' ' ' GLU . 67.7 mttm -92.56 95.62 9.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.199 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.486 ' HE2' HG23 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -103.29 142.88 25.49 Favored Pre-proline 0 C--N 1.317 -0.826 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.375 179.25 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -59.48 -19.85 53.85 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.398 2.065 . . . . 0.0 110.87 171.134 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.0 t -75.14 -69.83 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.636 174.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -152.83 174.63 13.82 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.422 175.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -112.3 127.19 55.92 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.012 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -147.51 159.1 44.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.499 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -105.76 140.31 38.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.052 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.11 141.53 43.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.248 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.623 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 51.5 mt-10 -89.58 117.15 28.26 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.214 0.531 . . . . 0.0 110.318 174.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.577 HG13 HD13 ' A' ' 40' ' ' LEU . 11.5 m -132.91 156.19 42.01 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.24 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.211 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.448 ' HB2' ' HZ2' ' A' ' 15' ' ' LYS . 10.3 t70 -76.24 160.26 29.84 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 175.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -73.42 -20.17 60.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.063 0.458 . . . . 0.0 110.259 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.4 p -100.81 14.77 30.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.355 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.496 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 17.1 tp10 -61.74 133.64 55.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.768 177.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.468 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -72.37 150.0 43.85 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.535 -179.304 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.549 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 92.7 t -57.51 -43.57 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.125 0.488 . . . . 0.0 110.716 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.421 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -69.42 -26.68 64.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.507 178.875 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 m -79.31 -29.6 42.46 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.746 HD23 HD22 ' A' ' 71' ' ' LEU . 18.1 tp -64.27 -49.98 69.74 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.185 173.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.51 ' HB3' HG23 ' A' ' 52' ' ' ILE . 98.5 mttt -62.14 -37.17 84.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.683 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.484 ' O ' HG13 ' A' ' 46' ' ' ILE . 26.4 t70 -60.37 -48.33 82.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.377 178.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.485 ' CD ' HG12 ' A' ' 31' ' ' VAL . 49.4 mttp -59.68 -44.82 93.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.408 177.701 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.486 HG23 ' HE2' ' A' ' 22' ' ' PHE . 74.0 mt -63.26 -37.22 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.525 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -64.87 -29.58 70.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 111.059 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 42' ' ' ASP . 89.3 mt -74.93 -36.51 39.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.065 0.459 . . . . 0.0 110.918 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.8 t -80.07 -53.12 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.42 -177.81 6.29 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.968 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -116.3 20.91 13.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.406 0.622 . . . . 0.0 109.93 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.8 m -99.07 123.41 49.11 Favored Pre-proline 0 N--CA 1.444 -0.739 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.778 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.722 ' HG2' HH11 ' A' ' 54' ' ' ARG . 54.1 Cg_exo -52.67 143.79 45.31 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.577 2.851 . . . . 0.0 112.98 175.27 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.51 HG23 ' HB3' ' A' ' 41' ' ' LYS . 64.6 mt -61.08 -39.67 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.482 -177.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.0 mmmp? -73.15 -9.86 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.978 -176.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.722 HH11 ' HG2' ' A' ' 51' ' ' PRO . 43.4 mtt180 -99.08 -34.99 10.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.793 0.33 . . . . 0.0 111.66 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.43 ' HE3' ' HA ' ' A' ' 52' ' ' ILE . 24.3 ptt? -94.1 125.68 38.88 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.21 0.529 . . . . 0.0 111.777 -177.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -107.78 134.76 50.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.616 176.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.424 HD11 HD22 ' A' ' 40' ' ' LEU . 54.3 mt -96.76 129.18 44.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.04 -174.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.483 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 35.2 m-85 -117.2 122.33 43.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.151 0.501 . . . . 0.0 110.979 176.083 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -104.7 105.52 15.64 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.84 176.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.2 m 61.59 22.22 12.74 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.398 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.6 -19.17 39.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.229 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 57.4 mt -85.8 123.38 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.483 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -83.03 132.49 35.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.443 0.64 . . . . 0.0 111.089 -176.617 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.6 mt -87.33 76.93 9.04 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.33 -14.17 27.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.029 -171.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -101.69 87.49 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.26 0.552 . . . . 0.0 110.27 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.549 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 0.7 OUTLIER -55.56 -26.14 41.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.882 -176.867 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -83.46 4.16 28.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -101.97 171.63 7.4 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.468 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 85.8 m-20 -107.66 164.34 12.32 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.365 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.746 HD22 HD23 ' A' ' 40' ' ' LEU . 63.9 mt -62.22 -34.11 75.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.671 -177.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -59.4 -27.73 66.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.319 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -67.54 -27.1 66.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.703 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -97.04 -7.56 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.72 34.21 25.51 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.096 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.629 HD13 HD21 ' A' ' 71' ' ' LEU . 43.5 mt -86.25 132.29 32.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.744 0.307 . . . . 0.0 110.485 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.7 t -130.19 -169.06 2.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.193 -177.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.561 ' HA ' ' HB ' ' A' ' 16' ' ' ILE . 42.1 tt0 -68.98 140.94 55.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.707 0.289 . . . . 0.0 111.071 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.2 t80 73.11 20.3 3.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.847 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 63.1 p -76.24 134.62 39.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.352 176.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.738 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 51.4 mt-10 -91.4 122.41 33.98 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.581 179.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.9 mm -106.29 119.59 55.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.806 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.61 HG21 ' HD2' ' A' ' 21' ' ' LYS . 46.1 t -93.55 122.45 45.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.6 t -100.55 111.24 29.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.064 0.459 . . . . 0.0 111.367 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.51 128.43 43.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.4 173.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.1 mt -90.37 127.46 36.19 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.061 0.457 . . . . 0.0 110.211 -178.114 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.451 ' HA ' ' HD3' ' A' ' 87' ' ' LYS . 69.9 mmtt -99.27 96.22 7.59 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.253 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.6 t -84.66 91.61 7.97 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.121 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.5 pt -97.34 116.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.15 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -134.36 125.53 27.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.04 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.509 ' HD2' ' H ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -121.65 140.65 52.01 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.076 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.76 165.07 11.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.003 -177.141 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -99.0 -24.75 14.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.585 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.4 -0.81 . . . . 0.0 109.909 178.733 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.0 mtt . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.798 0.333 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.18 -56.63 4.37 Favored Glycine 0 CA--C 1.519 0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 113.546 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -65.03 100.0 0.39 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -174.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 44.4 73.69 0.15 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.009 0.818 . . . . 0.0 112.432 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -152.15 148.94 28.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.128 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -89.21 86.58 6.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.395 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -101.33 95.09 6.28 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 176.077 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -74.15 98.1 3.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.806 -177.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -86.22 73.36 10.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.302 0.572 . . . . 0.0 111.059 -174.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -101.76 88.24 3.34 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 174.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.8 166.12 25.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -174.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.69 24.94 1.14 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.341 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.91 106.41 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.756 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -136.2 117.88 15.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.7 -177.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.525 ' HZ2' ' HB2' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -74.96 137.46 41.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.405 -177.712 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.428 HG22 ' O ' ' A' ' 77' ' ' THR . 23.8 pt -98.49 156.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.037 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -89.52 97.55 11.26 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.165 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.9 m -87.41 145.22 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.073 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.574 ' HB ' ' HG2' ' A' ' 81' ' ' GLU . 60.0 m -104.87 113.28 26.78 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.521 -175.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.4 t -92.81 116.8 34.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.078 0.466 . . . . 0.0 110.938 -177.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -96.29 103.85 15.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.688 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -97.54 157.71 34.3 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -70.7 45.16 0.54 Allowed 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 123.056 2.504 . . . . 0.0 111.864 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.5 t -165.79 -67.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.804 -177.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -132.53 175.18 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.122 0.487 . . . . 0.0 110.791 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -125.89 128.78 48.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.954 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -138.51 156.41 47.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.845 0.355 . . . . 0.0 110.79 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.21 141.0 37.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.59 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.458 HG11 ' HB3' ' A' ' 43' ' ' LYS . 26.0 t -126.96 150.0 32.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.611 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -92.44 112.01 23.8 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.526 175.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.606 HG11 HD11 ' A' ' 40' ' ' LEU . 31.0 m -136.47 147.66 27.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.733 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.492 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 16.5 t70 -80.56 161.67 24.66 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.283 -178.314 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 33' ' ' ARG . 61.9 mtt180 -66.58 -25.47 66.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.018 0.437 . . . . 0.0 110.475 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.634 ' HA ' ' OD1' ' A' ' 70' ' ' ASN . 76.2 p -102.55 16.42 26.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.073 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.536 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 7.3 tp10 -74.38 152.61 39.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.143 175.45 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 p -90.81 160.84 15.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.646 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.431 HG11 ' HE3' ' A' ' 41' ' ' LYS . 59.3 t -66.26 -36.39 77.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.072 0.463 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -58.55 -39.81 81.28 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.148 177.58 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.608 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 22.7 m -79.81 -27.22 40.32 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.737 -176.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.606 HD11 HG11 ' A' ' 31' ' ' VAL . 23.9 tp -62.36 -49.25 76.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.931 176.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HB3' HG21 ' A' ' 52' ' ' ILE . 92.2 mttt -59.41 -39.59 83.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.598 177.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.425 ' O ' HG13 ' A' ' 46' ' ' ILE . 20.3 t70 -57.8 -48.6 79.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.156 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.608 ' HG2' ' O ' ' A' ' 39' ' ' SER . 75.0 mmtt -56.1 -48.99 75.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.313 0.577 . . . . 0.0 110.519 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.3 mt -64.45 -38.5 82.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.182 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -64.75 -30.1 71.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 111.516 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 42' ' ' ASP . 84.1 mt -70.79 -30.99 44.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.143 0.497 . . . . 0.0 110.346 178.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 t -78.02 -56.46 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.354 0.597 . . . . 0.0 110.756 173.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -114.45 133.43 55.75 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.934 -171.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.41 HD21 ' N ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -75.4 9.22 2.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -171.874 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.453 HG21 HD23 ' A' ' 86' ' ' LEU . 14.5 m -65.42 123.66 84.99 Favored Pre-proline 0 N--CA 1.446 -0.636 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 175.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.475 ' HG2' ' HD2' ' A' ' 54' ' ' ARG . 52.2 Cg_exo -53.37 136.62 63.55 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.858 2.372 . . . . 0.0 112.128 175.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.446 HG21 ' HB3' ' A' ' 41' ' ' LYS . 64.4 mt -60.17 -35.53 62.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.736 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.89 -29.64 68.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.776 0.322 . . . . 0.0 111.509 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.475 ' HD2' ' HG2' ' A' ' 51' ' ' PRO . 43.6 mtt180 -80.98 -40.35 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.451 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.482 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 26.3 ptt? -90.91 117.43 29.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.341 0.591 . . . . 0.0 111.062 -176.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -101.45 132.92 46.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.958 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.6 mt -91.38 128.23 37.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.944 -175.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.497 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 74.9 m-85 -120.94 127.71 52.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.371 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.504 ' CE1' ' HB3' ' A' ' 80' ' ' SER . 62.0 t80 -116.88 112.75 21.5 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.345 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.8 m 60.09 21.83 11.05 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.886 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.06 -12.96 55.92 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.237 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.4 mt -91.35 125.77 44.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.42 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 12.6 pt-20 -81.52 134.38 35.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.126 0.488 . . . . 0.0 109.753 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.2 mt -82.98 70.29 9.95 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.351 0.596 . . . . 0.0 109.844 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.51 -35.53 68.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.357 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.421 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 61.5 m-20 -80.92 100.21 8.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.329 0.585 . . . . 0.0 110.371 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -70.02 -31.03 68.48 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.531 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -81.83 -9.21 59.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.738 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -80.93 168.85 18.26 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.401 0.62 . . . . 0.0 112.1 -175.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.634 ' OD1' ' HA ' ' A' ' 34' ' ' THR . 2.0 t-20 -94.25 158.42 15.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.208 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 80.6 mt -72.03 -44.76 62.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.743 -177.638 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.465 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 9.2 p30 -60.35 -27.77 67.64 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.772 0.32 . . . . 0.0 110.971 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -58.34 -32.91 68.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.54 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.421 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 95.3 m-85 -85.06 -9.15 58.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 111.156 -178.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.6 -0.86 30.66 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.218 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 72' ' ' ASN . 72.0 mt -67.42 130.79 33.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 177.392 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.428 ' O ' HG22 ' A' ' 16' ' ' ILE . 3.1 t -147.41 -36.65 0.22 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.817 -174.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -178.14 135.91 0.16 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.385 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 58.43 20.2 7.2 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.718 0.637 . . . . 0.0 111.4 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.504 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 2.8 m -65.13 131.09 45.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.946 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.574 ' HG2' ' HB ' ' A' ' 19' ' ' THR . 25.3 mt-10 -95.25 125.34 39.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.34 0.59 . . . . 0.0 110.79 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.0 mm -107.07 114.57 46.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.687 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.3 t -88.96 116.9 31.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.482 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 56.0 t -96.25 105.83 17.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.229 0.538 . . . . 0.0 110.973 -176.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.497 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 28.2 m-85 -94.74 121.66 36.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.931 176.025 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.453 HD23 HG21 ' A' ' 50' ' ' THR . 28.5 mt -83.63 119.14 24.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.795 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -97.95 117.2 31.76 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.964 -175.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.1 m -78.57 61.22 2.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.024 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 32.3 pt -65.84 -36.34 77.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.325 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -145.4 104.21 3.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.207 174.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -29.27 70.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.44 168.87 5.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.861 173.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.542 ' HG2' ' OD1' ' A' ' 94' ' ' ASP . 41.7 tttm -132.36 -77.74 0.5 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.699 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.542 ' OD1' ' HG2' ' A' ' 93' ' ' LYS . 7.1 p-10 . . . . . 0 C--O 1.247 0.965 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 175.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.681 0.277 . . . . 0.0 110.65 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.85 -105.33 0.82 Allowed Glycine 0 C--N 1.331 0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 114.077 171.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -103.1 6.26 38.45 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -174.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -80.27 83.05 6.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -136.35 177.31 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.978 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -95.24 13.15 26.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.886 0.374 . . . . 0.0 111.283 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -98.29 -7.87 28.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.803 176.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -129.59 111.62 12.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.41 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 m -75.01 145.9 42.08 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 172.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -80.55 -78.05 0.18 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.914 0.387 . . . . 0.0 110.109 -175.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -171.78 -178.53 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.933 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.73 23.63 0.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.168 0.509 . . . . 0.0 110.739 177.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.2 p -72.69 111.6 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.714 0.768 . . . . 0.0 110.492 179.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -132.34 154.43 49.75 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.627 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -85.16 152.18 23.56 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.423 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.5 pt -101.73 142.32 16.49 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-O 121.31 0.576 . . . . 0.0 110.11 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.641 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 69.8 m80 -97.44 98.74 10.2 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.226 -177.802 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 m -92.06 142.78 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.614 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.1 m -100.1 111.67 23.96 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.146 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.8 t -89.06 115.41 28.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.097 0.475 . . . . 0.0 110.752 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -90.02 102.55 15.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.841 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.592 ' CD1' ' HD2' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -114.15 147.79 38.63 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.685 178.709 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.592 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 40.3 Cg_endo -68.55 -13.88 38.35 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.3 2.0 . . . . 0.0 112.039 175.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 p -96.39 -30.85 13.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.429 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.698 ' HZ2' ' HB3' ' A' ' 25' ' ' LYS . 0.6 OUTLIER -170.18 174.82 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.423 -176.515 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -129.1 129.55 45.35 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -149.39 156.34 41.89 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.314 0.578 . . . . 0.0 111.383 -177.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 m -104.65 136.96 43.22 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.263 177.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.61 135.79 58.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.641 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 47.1 mt-10 -90.31 108.64 19.89 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.409 0.623 . . . . 0.0 109.968 174.245 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.461 HG11 HD13 ' A' ' 40' ' ' LEU . 16.6 m -127.21 155.9 38.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.768 177.682 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.523 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 15.4 t0 -66.8 147.04 53.77 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.733 175.378 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -75.95 -25.1 55.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.098 0.475 . . . . 0.0 110.7 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.4 14.29 18.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.441 0.639 . . . . 0.0 110.635 175.365 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 22.6 tt0 -72.49 147.06 46.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.921 177.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.545 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 16.4 p -88.89 160.88 16.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.6 0.238 . . . . 0.0 111.122 -178.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.426 HG13 ' HE3' ' A' ' 41' ' ' LYS . 61.7 t -58.96 -34.36 52.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.059 0.457 . . . . 0.0 110.694 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.537 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 25.3 p -54.72 -47.77 73.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.443 176.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.52 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 23.0 m -75.78 -28.94 58.59 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.418 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.677 HD12 HD11 ' A' ' 71' ' ' LEU . 13.1 tp -62.01 -46.26 89.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.905 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' HE3' HG13 ' A' ' 37' ' ' VAL . 95.9 mttt -59.45 -41.76 90.43 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.393 176.276 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' HG13 ' A' ' 46' ' ' ILE . 30.6 t70 -59.43 -45.89 90.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.785 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.52 ' HG2' ' O ' ' A' ' 39' ' ' SER . 35.0 mmtp -56.37 -51.5 68.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.866 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.0 mt -61.15 -41.5 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.184 -176.589 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -64.71 -29.15 70.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.568 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 42' ' ' ASP . 91.3 mt -73.57 -35.29 44.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.004 0.43 . . . . 0.0 110.446 178.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.7 t -80.39 -53.64 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.979 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.09 162.57 14.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.014 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -84.23 -22.8 30.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.976 0.417 . . . . 0.0 110.933 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.411 HG23 HD23 ' A' ' 86' ' ' LEU . 85.3 m -61.85 131.5 93.08 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.661 -177.286 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.713 ' HG2' ' HD3' ' A' ' 54' ' ' ARG . 56.6 Cg_endo -73.71 153.14 48.49 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.749 2.299 . . . . 0.0 112.405 178.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.8 mt -66.58 -24.07 32.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.524 0.678 . . . . 0.0 110.308 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -68.28 -19.1 64.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.055 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.713 ' HD3' ' HG2' ' A' ' 51' ' ' PRO . 8.9 mpt_? -106.76 -26.97 11.06 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.912 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.497 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 27.0 ptt? -96.93 134.89 39.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.219 0.533 . . . . 0.0 112.164 -173.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -115.73 141.93 47.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.067 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.4 mt -99.5 128.38 45.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.902 0.382 . . . . 0.0 111.363 -174.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.412 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 94.6 m-85 -127.76 126.98 42.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.224 176.288 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -112.56 105.67 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.724 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.0 m 61.65 27.05 16.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.419 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.18 -25.31 28.72 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.835 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.5 mt -80.73 120.01 31.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.908 0.385 . . . . 0.0 110.349 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -75.21 140.32 43.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.071 176.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.1 mt -88.05 88.19 7.57 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.18 -28.39 38.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.781 -172.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.402 ' HB2' ' HD3' ' A' ' 69' ' ' ARG . 26.5 m-20 -100.56 108.13 19.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.323 0.582 . . . . 0.0 110.617 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.537 ' OD2' ' HB3' ' A' ' 38' ' ' SER . 22.0 t70 -66.47 -30.93 71.38 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.751 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -84.31 -8.36 59.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.385 -173.156 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.402 ' HD3' ' HB2' ' A' ' 66' ' ' ASP . 74.8 mtp180 -83.07 156.33 23.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.257 0.551 . . . . 0.0 110.816 -178.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.545 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 8.2 m120 -86.52 154.16 21.3 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.937 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.677 HD11 HD12 ' A' ' 40' ' ' LEU . 41.5 mt -59.05 -35.19 72.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.729 0.776 . . . . 0.0 109.101 173.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -57.27 -34.19 68.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.726 175.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.528 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 23.4 mm-40 -65.28 -47.38 76.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.1 0.476 . . . . 0.0 110.081 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -71.81 -23.02 61.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.528 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.33 33.16 7.35 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.82 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.497 HD13 HD21 ' A' ' 71' ' ' LEU . 52.4 mt -77.94 119.69 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.087 0.47 . . . . 0.0 110.612 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.5 t -104.35 -174.37 2.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.227 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.491 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 39.1 tt0 -76.84 148.83 36.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.453 0.168 . . . . 0.0 110.695 -179.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.491 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 37.4 m-85 69.63 20.65 6.93 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.7 0.625 . . . . 0.0 111.066 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 p -74.19 132.95 42.67 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.95 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -92.36 106.24 18.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.165 0.507 . . . . 0.0 110.081 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.8 mm -89.94 115.94 30.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.518 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.4 t -92.79 117.29 35.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.692 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.497 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 45.0 t -101.27 110.02 27.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.515 -178.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.66 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 44.5 m-85 -94.91 121.14 36.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.22 178.168 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.447 HD21 ' CE1' ' A' ' 22' ' ' PHE . 26.6 mt -84.58 115.0 22.38 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.419 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.66 ' HE3' ' HB3' ' A' ' 85' ' ' PHE . 29.8 mmtp -113.72 92.07 3.86 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 m -71.93 97.41 1.84 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.604 -174.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.3 pt -105.38 118.82 53.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.94 174.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -85.69 117.5 24.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.345 0.593 . . . . 0.0 110.585 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -137.6 87.95 2.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.789 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 62.3 93.86 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 O-C-N 123.908 0.755 . . . . 0.0 111.187 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -107.88 148.15 30.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -176.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.9 t70 . . . . . 0 C--O 1.248 0.977 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 169.982 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mmm . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.756 0.313 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.29 162.39 11.39 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.187 -1.006 . . . . 0.0 112.371 177.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -118.96 128.99 54.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -86.88 67.29 9.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.665 0.745 . . . . 0.0 110.834 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -80.52 -28.35 37.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.403 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -87.46 119.51 27.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 174.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 63.23 67.37 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -171.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -91.23 172.8 8.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.806 -170.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -157.71 152.59 25.43 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.026 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -99.72 -7.4 25.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.517 0.675 . . . . 0.0 109.286 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.23 141.36 28.62 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.093 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.13 151.98 31.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.133 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -76.88 168.6 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.294 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -92.56 103.17 15.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.154 0.502 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.468 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 3.4 mppt? -82.11 120.19 24.99 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 173.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.66 HG23 ' O ' ' A' ' 77' ' ' THR . 27.9 pt -92.1 145.78 7.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.107 -170.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.614 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 43.5 m80 -88.93 95.39 10.29 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.737 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -85.03 141.24 14.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.281 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -95.3 109.7 21.8 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.82 118.5 34.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.955 0.407 . . . . 0.0 110.48 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.58 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 35.1 mmtp -96.07 96.95 9.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.659 -178.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -96.48 152.94 38.96 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.863 174.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -60.26 -23.06 73.01 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.462 2.108 . . . . 0.0 112.006 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.4 m -84.52 -61.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.05 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.04 173.75 13.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 110.669 -176.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.52 ' OE1' ' HE2' ' A' ' 21' ' ' LYS . 14.8 tt0 -111.62 133.18 54.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.055 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -146.09 166.24 26.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.656 0.265 . . . . 0.0 110.364 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.459 HG22 ' HB3' ' A' ' 17' ' ' HIS . 3.2 m -111.18 145.2 39.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.548 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 36.2 t -129.57 141.5 46.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.832 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.614 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 56.6 mt-10 -90.47 109.77 20.89 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.068 0.461 . . . . 0.0 110.016 176.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 25.2 m -128.69 147.09 33.18 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.83 179.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -71.9 147.76 46.74 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -72.38 -21.41 61.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.29 0.567 . . . . 0.0 110.533 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.33 14.2 23.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.822 175.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.526 ' HG3' ' HB3' ' A' ' 39' ' ' SER . 5.6 tp10 -69.43 151.3 46.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.386 175.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.4 p -90.15 161.02 15.96 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.448 HG22 ' HH ' ' A' ' 74' ' ' TYR . 48.1 t -64.31 -33.93 65.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.191 0.519 . . . . 0.0 110.087 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.433 ' HB3' ' CG ' ' A' ' 67' ' ' ASP . 14.1 p -62.0 -38.93 90.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.812 176.143 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.526 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 17.9 t -79.69 -25.64 41.16 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -176.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.835 HD22 HD12 ' A' ' 57' ' ' LEU . 19.3 tp -66.77 -52.41 44.47 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.57 176.611 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.535 ' HB3' HG23 ' A' ' 52' ' ' ILE . 76.6 mttt -61.77 -36.49 81.2 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.444 176.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.456 ' O ' HG13 ' A' ' 46' ' ' ILE . 25.9 t70 -58.38 -47.67 83.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.743 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 51.8 mttp -64.09 -46.21 85.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.507 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.2 mt -59.57 -36.05 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.637 176.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -66.36 -30.7 71.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.588 0.233 . . . . 0.0 111.218 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 42' ' ' ASP . 83.2 mt -73.34 -47.59 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.046 0.45 . . . . 0.0 110.284 178.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.4 -52.06 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.291 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -91.31 -169.5 2.34 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.77 -173.153 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -122.1 19.7 10.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.584 0.707 . . . . 0.0 110.346 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.493 HG21 ' HB3' ' A' ' 55' ' ' MET . 13.1 m -102.33 131.21 22.78 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.111 -177.627 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -57.12 139.94 91.35 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 123.01 2.474 . . . . 0.0 111.582 171.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.535 HG23 ' HB3' ' A' ' 41' ' ' LYS . 33.5 mt -57.23 -36.56 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.347 -174.554 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -85.68 -10.2 56.06 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -175.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.6 mpt_? -92.86 -26.1 17.79 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.217 177.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.493 ' HB3' HG21 ' A' ' 50' ' ' THR . 23.5 ptt? -98.71 124.89 43.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.131 0.491 . . . . 0.0 110.79 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.457 ' HG3' ' HE3' ' A' ' 87' ' ' LYS . 15.2 mm100 -107.7 145.85 32.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.606 -178.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.835 HD12 HD22 ' A' ' 40' ' ' LEU . 55.0 mt -107.98 129.07 55.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -175.581 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.469 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 87.3 m-85 -128.84 137.62 51.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.053 0.454 . . . . 0.0 110.674 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -126.13 107.72 10.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.223 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.3 m 57.79 29.78 17.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.53 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.01 -14.38 62.71 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.451 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.5 mt -83.71 127.6 39.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -82.28 120.62 25.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.543 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.0 mt -83.81 81.62 8.68 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.0 -29.89 13.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.122 -174.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -73.01 107.37 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.815 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.433 ' CG ' ' HB3' ' A' ' 38' ' ' SER . 17.8 t70 -62.33 -40.69 97.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.231 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -77.12 -12.66 59.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.24 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -80.16 156.24 27.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -173.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.513 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 12.1 m120 -97.25 151.77 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.461 177.03 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.626 HD11 HD11 ' A' ' 40' ' ' LEU . 78.6 mt -57.83 -47.21 83.31 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -174.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -59.63 -27.47 66.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.59 -176.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.513 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 30.2 mt-10 -65.22 -21.63 66.77 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.691 0.281 . . . . 0.0 111.196 -178.206 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.448 ' HH ' HG22 ' A' ' 37' ' ' VAL . 95.9 m-85 -86.06 -13.38 47.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.976 0.417 . . . . 0.0 110.353 176.778 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.78 8.4 30.18 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.95 -176.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.6 mt -74.2 109.69 7.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.057 0.456 . . . . 0.0 110.508 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.66 ' O ' HG23 ' A' ' 16' ' ' ILE . 3.3 t -99.58 -59.8 1.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.711 -177.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.45 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 38.7 tt0 -176.81 154.02 1.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -176.876 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.45 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 52.3 m-85 57.98 22.24 8.62 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.217 0.532 . . . . 0.0 111.288 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.3 p -72.22 130.03 39.84 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.261 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -91.89 94.64 9.4 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.912 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.1 mm -80.96 115.81 24.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.608 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.58 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 12.3 t -87.11 120.71 36.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.948 -177.812 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.1 t -100.74 105.81 18.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.341 0.591 . . . . 0.0 110.556 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.469 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 60.9 m-85 -92.06 123.57 35.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.856 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.786 ' HB2' HD11 ' A' ' 89' ' ' ILE . 44.3 mt -97.69 123.17 41.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.814 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.457 ' HE3' ' HG3' ' A' ' 56' ' ' GLN . 3.7 mptp? -93.49 128.37 39.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.847 -171.502 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.7 m 58.68 43.46 18.77 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.698 174.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.786 HD11 ' HB2' ' A' ' 86' ' ' LEU . 16.8 pt -89.19 128.04 41.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.349 0.595 . . . . 0.0 111.859 -178.452 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -135.43 162.11 33.56 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -64.41 136.47 57.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.167 0.508 . . . . 0.0 111.021 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -119.84 46.95 1.83 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.034 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -66.08 -47.28 74.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.393 -174.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.123 -0.942 . . . . 0.0 109.966 -177.811 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.03 96.93 0.16 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.136 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -64.26 110.3 2.17 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -67.47 122.04 17.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.41 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -84.45 -30.22 25.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.116 -177.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 61.26 20.34 10.94 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.57 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -88.27 117.7 27.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.677 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -81.16 147.95 29.8 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.8 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m 62.07 95.33 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.656 0.597 . . . . 0.0 111.058 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -154.01 -55.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.124 0.488 . . . . 0.0 110.829 -175.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -159.62 -179.68 8.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.27 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.25 148.62 26.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.07 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.3 m -71.53 167.17 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.21 0.528 . . . . 0.0 111.906 -176.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -99.05 137.98 36.8 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.46 128.06 35.25 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 171.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.602 ' HA ' ' HG3' ' A' ' 78' ' ' GLU . 29.0 pt -83.51 143.87 11.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-O 121.692 0.758 . . . . 0.0 111.595 -169.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.451 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 52.4 m80 -88.13 98.24 11.44 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.789 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 m -92.81 131.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.07 0.462 . . . . 0.0 110.427 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.8 m -85.55 110.33 19.15 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.857 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -91.28 107.95 19.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.108 0.48 . . . . 0.0 109.899 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.51 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 50.4 mtpt -99.05 104.42 16.44 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.354 -177.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -95.31 156.48 37.63 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.607 173.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.92 -18.32 61.93 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.372 2.048 . . . . 0.0 111.435 173.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.1 m -104.17 -21.92 13.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.277 -175.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -168.44 172.67 8.13 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.623 0.249 . . . . 0.0 110.986 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -137.83 131.19 30.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.222 176.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -150.91 163.81 37.81 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -108.36 142.91 37.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.681 0.277 . . . . 0.0 110.481 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.4 t -123.67 137.55 56.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 53.6 mt-10 -91.46 102.98 15.66 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.56 0.695 . . . . 0.0 110.094 176.043 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.437 HG11 HD12 ' A' ' 40' ' ' LEU . 35.3 m -119.49 145.7 25.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.841 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.66 144.94 46.51 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.442 ' HB3' HG21 ' A' ' 16' ' ' ILE . 17.8 ptp180 -69.76 -21.69 63.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.835 0.35 . . . . 0.0 110.75 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.578 ' HA ' ' OD1' ' A' ' 72' ' ' ASN . 45.5 p -96.37 14.9 22.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.624 177.204 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -70.6 149.86 46.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.185 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 p -88.21 152.1 22.21 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.541 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 87.6 t -56.04 -37.7 49.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 121.014 0.435 . . . . 0.0 110.605 177.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.547 ' HB3' ' HB3' ' A' ' 67' ' ' ASP . 12.3 p -59.21 -44.88 92.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.945 177.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.516 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 26.9 m -79.18 -24.68 43.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.172 -176.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.683 HD21 HD22 ' A' ' 71' ' ' LEU . 17.0 tp -62.05 -43.12 99.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.251 173.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.441 ' HD3' HG21 ' A' ' 52' ' ' ILE . 99.3 mttt -65.89 -34.2 77.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.595 176.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.462 ' O ' HG13 ' A' ' 46' ' ' ILE . 12.3 m-20 -61.78 -42.9 99.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.468 176.168 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.516 ' HG2' ' O ' ' A' ' 39' ' ' SER . 74.3 mmtt -56.04 -50.55 70.63 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.306 0.574 . . . . 0.0 110.143 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.71 -40.35 88.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.135 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -64.23 -30.77 71.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.312 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 42' ' ' ASP . 99.5 mt -74.75 -38.15 44.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.974 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.7 t -82.93 -54.7 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.225 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -98.72 153.46 18.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.114 0.483 . . . . 0.0 111.445 -176.019 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -87.13 78.41 8.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.508 0.671 . . . . 0.0 109.475 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.9 m -147.85 123.38 5.24 Favored Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.721 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.01 136.22 64.06 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.736 2.291 . . . . 0.0 111.848 173.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.441 HG21 ' HD3' ' A' ' 41' ' ' LYS . 70.1 mt -63.59 -26.77 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.108 -177.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -72.6 -10.75 60.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.681 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -100.52 -42.38 6.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.003 0.43 . . . . 0.0 111.244 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -89.56 131.59 35.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.32 0.581 . . . . 0.0 112.15 -172.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.441 ' CB ' ' HE3' ' A' ' 87' ' ' LYS . 4.6 tp-100 -111.76 149.33 31.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.55 175.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.676 HD11 HD23 ' A' ' 40' ' ' LEU . 78.0 mt -102.24 134.69 45.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.737 0.303 . . . . 0.0 111.088 -176.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.464 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 41.3 m-85 -124.02 121.49 35.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.274 176.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -93.05 103.14 15.47 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 m 66.77 -74.22 0.07 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 123.89 0.744 . . . . 0.0 110.865 -176.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -146.64 10.63 1.46 Allowed Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 37.4 mt -105.25 122.89 59.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.199 -176.414 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -79.69 121.14 24.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.997 0.427 . . . . 0.0 110.339 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.8 mt -83.59 80.25 9.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.048 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.9 -17.68 34.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.989 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.435 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 2.9 m-20 -91.87 100.17 12.9 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.547 ' HB3' ' HB3' ' A' ' 38' ' ' SER . 9.9 m-20 -71.5 -33.03 68.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.177 -175.093 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -80.49 15.97 1.49 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.202 -0.453 . . . . 0.0 112.013 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.458 ' O ' HG23 ' A' ' 37' ' ' VAL . 14.3 mmt180 -102.55 136.09 43.01 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.957 0.408 . . . . 0.0 111.502 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.498 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 5.3 m-20 -71.67 146.73 48.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.29 175.199 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.683 HD22 HD21 ' A' ' 40' ' ' LEU . 68.8 mt -61.58 -42.45 98.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.01 0.434 . . . . 0.0 110.428 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.578 ' OD1' ' HA ' ' A' ' 34' ' ' THR . 4.2 p-10 -61.08 -29.01 69.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.423 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.498 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 54.5 mm-40 -66.44 -37.42 85.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.55 0.214 . . . . 0.0 111.155 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . 0.435 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 82.8 m-85 -70.41 -23.39 62.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.006 0.431 . . . . 0.0 110.453 177.253 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.01 12.83 28.74 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -175.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.424 HG13 ' HB2' ' A' ' 74' ' ' TYR . 65.9 mt -67.67 116.71 7.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.925 0.393 . . . . 0.0 110.691 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.3 t -101.47 -172.82 2.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.002 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.602 ' HG3' ' HA ' ' A' ' 16' ' ' ILE . 22.1 tt0 -76.47 154.74 34.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.495 -177.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 64.29 31.29 13.04 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.583 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 p -85.55 172.23 11.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.393 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -119.42 112.75 19.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.081 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.464 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 1.7 mp -106.86 108.51 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.376 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.51 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 21.4 t -87.84 122.07 39.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.58 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.4 t -95.52 103.98 15.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-O 121.032 0.444 . . . . 0.0 110.821 -176.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.442 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 37.7 m-85 -95.29 121.91 37.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.084 176.213 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.673 ' HB2' HD13 ' A' ' 89' ' ' ILE . 22.1 mt -87.51 126.67 35.05 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.441 ' HE3' ' CB ' ' A' ' 56' ' ' GLN . 38.2 mttt -112.26 145.03 40.68 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.844 -173.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 m 65.94 28.54 10.57 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.103 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.673 HD13 ' HB2' ' A' ' 86' ' ' LEU . 28.0 pt -101.39 123.04 54.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.118 0.485 . . . . 0.0 111.142 -178.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -106.96 109.13 20.94 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 173.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -74.76 88.55 2.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 175.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.04 132.32 40.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.43 -170.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.418 ' HB2' ' HE3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -103.47 172.41 6.82 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 172.331 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.623 -0.703 . . . . 0.0 109.303 179.049 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.6 ttm . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -137.21 153.06 21.7 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.617 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -149.37 140.74 23.24 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 176.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -60.79 123.57 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.2 0.524 . . . . 0.0 111.54 -173.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -151.34 127.15 10.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.185 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -131.18 142.0 50.14 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -53.72 126.03 20.51 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.352 0.596 . . . . 0.0 111.883 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -87.69 75.09 9.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.554 0.692 . . . . 0.0 109.888 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -164.59 166.03 20.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.883 -1.053 . . . . 0.0 108.275 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -128.54 123.56 33.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.99 0.424 . . . . 0.0 111.105 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -148.14 149.95 32.93 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.446 174.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.22 103.54 1.6 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.967 0.413 . . . . 0.0 109.976 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 p -102.79 128.57 55.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.363 0.601 . . . . 0.0 111.511 -174.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -96.53 107.38 19.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.692 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 3.3 mppt? -74.7 139.18 43.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.667 -178.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 77' ' ' THR . 15.7 pt -91.84 150.91 3.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.252 0.548 . . . . 0.0 111.325 -173.729 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.577 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 46.4 m80 -91.73 106.29 18.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.772 178.064 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.07 140.49 19.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.407 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.6 m -93.64 109.94 21.56 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.9 t -94.44 113.86 29.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.02 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.865 ' HB3' ' HZ3' ' A' ' 21' ' ' LYS . 7.9 mtpm? -101.5 113.62 26.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.654 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -99.18 155.1 36.92 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.359 170.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -59.59 -11.27 13.65 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.676 2.251 . . . . 0.0 112.95 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -123.14 -13.1 7.81 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HZ3' ' CD ' ' A' ' 48' ' ' GLU . 18.4 ptpt -159.52 169.81 23.04 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 122.013 -0.429 . . . . 0.0 111.278 -174.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.488 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 24.4 tt0 -144.27 127.02 16.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.953 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -147.32 160.0 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.708 0.29 . . . . 0.0 110.612 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 m -107.74 141.94 38.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.426 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.7 t -128.22 147.32 32.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.151 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.577 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 49.0 mt-10 -95.43 109.74 21.88 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.235 0.54 . . . . 0.0 110.377 175.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 18.8 m -126.75 153.0 35.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.245 179.603 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -66.25 148.61 51.59 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.83 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -75.43 -27.32 58.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.407 0.622 . . . . 0.0 110.331 -179.347 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.97 14.19 20.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.557 176.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.456 ' HG3' ' HB3' ' A' ' 39' ' ' SER . 6.1 tp10 -63.6 143.65 57.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.328 178.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 13.2 p -79.36 152.98 30.11 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.327 175.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.521 HG13 ' HE3' ' A' ' 41' ' ' LYS . 58.8 t -57.94 -37.04 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.075 0.464 . . . . 0.0 110.839 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.542 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 1.6 t -71.6 -26.77 62.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -178.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.456 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 25.8 t -79.07 -29.63 43.54 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.002 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.719 HD22 HD13 ' A' ' 57' ' ' LEU . 17.2 tp -63.32 -49.55 73.53 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.058 173.101 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.521 ' HE3' HG13 ' A' ' 37' ' ' VAL . 94.2 mttt -56.26 -44.82 80.1 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.631 176.337 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.412 ' O ' HG13 ' A' ' 46' ' ' ILE . 32.3 t70 -59.89 -46.72 88.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.845 -178.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -62.03 -43.86 97.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 40' ' ' LEU . 70.5 mt -62.48 -35.93 72.36 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.714 176.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.97 -29.04 68.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.185 0.517 . . . . 0.0 111.312 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 42' ' ' ASP . 89.7 mt -72.04 -41.54 67.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.496 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -79.24 -55.71 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.02 0.438 . . . . 0.0 110.733 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' CD ' ' HZ3' ' A' ' 25' ' ' LYS . 6.8 mm-40 -94.39 147.77 22.89 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.003 -177.33 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -78.4 -5.34 52.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.631 -175.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.43 HG23 ' HB3' ' A' ' 55' ' ' MET . 7.7 m -64.81 126.18 90.46 Favored Pre-proline 0 N--CA 1.445 -0.676 0 CA-C-O 121.34 0.59 . . . . 0.0 111.526 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.666 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 38.5 Cg_exo -58.97 143.96 99.45 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.814 2.343 . . . . 0.0 111.33 173.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.512 HG21 ' HB3' ' A' ' 41' ' ' LYS . 49.7 mt -59.92 -39.0 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -173.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -78.45 -10.28 59.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.774 ' HG3' ' HB3' ' A' ' 88' ' ' SER . 4.3 mpt_? -93.29 -16.07 25.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.729 0.299 . . . . 0.0 111.361 -176.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' MET . . . . . 0.507 ' HE3' ' HA ' ' A' ' 52' ' ' ILE . 22.8 ptt? -114.36 130.03 56.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.101 0.477 . . . . 0.0 110.977 -178.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -111.61 132.47 54.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.687 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.813 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . 19.8 mt -91.7 130.78 37.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.075 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.468 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 76.6 m-85 -126.94 133.96 50.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.874 0.368 . . . . 0.0 110.846 176.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -134.3 113.19 11.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.293 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.6 t 62.84 19.56 11.59 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.776 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.54 -9.58 58.97 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.145 -178.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.4 mt -84.94 128.57 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -84.73 111.67 19.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.602 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.813 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 16.0 mt -87.42 77.85 8.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.833 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.6 -34.82 8.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.406 -177.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -67.94 110.33 3.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.389 0.614 . . . . 0.0 111.498 -175.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.542 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 20.3 m-20 -65.92 -30.46 71.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.495 -173.683 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -81.95 -0.51 44.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -174.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.441 ' HE ' ' HA ' ' A' ' 69' ' ' ARG . 2.0 mmp_? -89.55 163.77 15.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.615 0.245 . . . . 0.0 110.825 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.535 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 14.8 m120 -111.55 155.43 23.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.626 HD11 HD12 ' A' ' 40' ' ' LEU . 73.0 mt -61.58 -50.86 70.92 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -175.526 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -59.74 -26.86 66.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.609 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.535 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 54.1 mm-40 -58.31 -34.79 70.98 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.929 0.395 . . . . 0.0 110.703 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -84.45 2.9 38.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.66 10.56 57.78 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.61 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.7 mt -72.91 109.33 4.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.208 0.528 . . . . 0.0 110.31 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.604 ' O ' HG22 ' A' ' 16' ' ' ILE . 4.1 t -107.37 -50.07 3.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.158 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 39.3 tt0 178.82 149.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.776 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.442 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 47.6 m-85 59.22 23.8 12.18 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.51 0.506 . . . . 0.0 111.816 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.4 p -70.58 131.5 44.06 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.245 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -85.92 109.65 18.88 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.8 mm -96.0 109.12 22.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.831 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.5 t -90.71 106.03 17.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.695 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.7 t -88.63 105.12 15.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.471 -177.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.468 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 27.0 m-85 -91.24 113.0 25.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.19 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.2 mt -81.88 122.14 27.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.186 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -98.82 -9.19 24.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.375 0.607 . . . . 0.0 109.763 178.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.774 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 35.9 t -163.46 150.39 12.37 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.514 176.338 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 41.7 pt -124.65 11.65 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.02 0.438 . . . . 0.0 110.688 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -79.97 126.63 31.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -80.98 148.8 29.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.232 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -120.28 -14.82 8.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -171.766 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -102.88 23.65 11.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.515 0.674 . . . . 0.0 109.629 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.158 -177.953 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.683 0.278 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.66 -169.29 40.75 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -138.4 137.63 37.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.93 0.395 . . . . 0.0 110.908 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -124.18 91.07 3.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.725 175.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -88.13 134.43 33.77 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -68.64 133.8 49.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.338 0.59 . . . . 0.0 112.024 -171.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.23 -175.75 2.86 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 173.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -67.72 117.07 9.14 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -63.21 128.65 36.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.19 -174.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.63 87.61 1.37 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.953 0.883 . . . . 0.0 109.003 169.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -102.37 11.24 38.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.68 -171.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.34 14.85 8.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.416 0.626 . . . . 0.0 110.809 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.3 t -86.23 160.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.145 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.9 mmm180 -88.84 109.56 20.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.061 0.457 . . . . 0.0 111.147 -178.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.4 ' HE2' ' OD2' ' A' ' 32' ' ' ASP . 0.8 OUTLIER -90.43 133.72 34.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.288 175.76 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.9 pt -109.47 159.45 8.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.936 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . 0.427 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 69.2 m80 -100.94 112.08 24.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.788 177.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.3 m -97.54 132.39 42.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.165 0.507 . . . . 0.0 110.581 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.492 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 5.7 m -85.62 109.63 18.69 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.671 178.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.17 113.76 26.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 120.938 0.399 . . . . 0.0 110.491 -176.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.535 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 71.5 mmtt -91.58 107.11 18.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.39 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -110.03 150.86 42.02 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.133 175.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.16 -19.85 58.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.786 2.324 . . . . 0.0 112.565 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.0 m -93.14 -60.44 1.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.64 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -145.25 174.32 11.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.145 0.497 . . . . 0.0 111.321 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -115.68 142.42 46.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.007 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -154.48 174.11 15.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -122.82 140.65 52.7 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -178.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.0 t -122.23 137.14 56.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.214 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 55.3 mt-10 -89.29 109.97 20.8 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.171 0.51 . . . . 0.0 110.299 176.727 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.536 HG13 HD13 ' A' ' 40' ' ' LEU . 35.0 m -131.22 145.61 35.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.514 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.4 ' OD2' ' HE2' ' A' ' 15' ' ' LYS . 9.3 t0 -64.3 142.75 58.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 176.353 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -73.44 -16.82 61.3 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.616 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.7 p -97.58 9.93 41.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.019 0.438 . . . . 0.0 110.368 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -73.66 148.14 43.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.207 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.6 p -83.44 150.89 25.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.338 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.451 HG11 HD13 ' A' ' 57' ' ' LEU . 74.2 t -58.49 -34.73 51.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.614 -178.191 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.534 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -64.23 -35.07 79.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.894 0.378 . . . . 0.0 110.68 -178.766 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.453 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 34.4 t -80.24 -28.74 38.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.735 HD22 HD12 ' A' ' 57' ' ' LEU . 18.3 tp -59.41 -52.28 66.27 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.784 176.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.57 ' HG3' HD11 ' A' ' 57' ' ' LEU . 48.6 mtmt -65.89 -32.84 74.58 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.887 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.515 ' O ' HG13 ' A' ' 46' ' ' ILE . 23.1 t70 -57.24 -45.89 83.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.481 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.525 ' HA ' HD11 ' A' ' 46' ' ' ILE . 65.2 mttm -68.58 -39.7 80.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.915 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 40' ' ' LEU . 61.9 mt -60.22 -37.45 73.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -65.24 -30.48 71.36 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.712 0.291 . . . . 0.0 111.122 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.525 HD11 ' HA ' ' A' ' 43' ' ' LYS . 66.3 mt -72.23 -49.51 42.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.968 0.413 . . . . 0.0 110.709 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.9 t -71.2 -52.29 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.467 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -104.17 124.77 49.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.224 -177.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -78.08 70.57 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.496 0.665 . . . . 0.0 110.392 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.7 m -132.97 128.04 20.46 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.833 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.84 135.55 57.77 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.896 2.398 . . . . 0.0 112.476 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.39 -18.86 24.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.221 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -67.94 -26.35 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.339 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -94.97 -46.49 6.81 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -174.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 23.9 ptt? -80.52 116.55 20.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.535 0.683 . . . . 0.0 111.726 -173.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -111.72 133.14 54.15 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.445 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.852 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . 18.5 mt -90.6 140.24 29.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.22 -171.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.429 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 51.6 m-85 -131.67 139.43 49.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.382 174.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.476 ' CD2' HG12 ' A' ' 76' ' ' ILE . 40.6 t80 -130.96 112.92 13.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.071 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.4 t 61.89 -94.41 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.293 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.66 7.21 6.98 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 173.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.1 mt -98.95 129.25 49.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.09 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.423 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -86.48 134.24 33.69 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.75 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.852 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 56.5 mt -91.19 63.02 4.92 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.53 -23.9 29.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.323 -175.482 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -92.74 107.47 19.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.494 0.664 . . . . 0.0 111.262 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.534 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 1.1 m-20 -66.49 -33.39 75.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.654 -1.157 . . . . 0.0 112.639 -175.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -78.46 -12.93 60.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -171.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.421 ' HE ' ' HG3' ' A' ' 73' ' ' GLU . 4.9 mtp85 -86.78 152.14 22.76 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.004 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.501 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 72.2 m-20 -81.25 154.25 26.7 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.546 177.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.698 HD22 HD23 ' A' ' 40' ' ' LEU . 66.7 mt -59.94 -31.96 70.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.789 0.804 . . . . 0.0 109.378 174.2 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -55.71 -35.07 65.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.992 174.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.501 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 15.2 mm-40 -66.56 -23.32 66.19 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.195 -175.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -98.96 -12.84 20.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.538 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.26 38.82 9.62 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.249 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.476 HG12 ' CD2' ' A' ' 59' ' ' TYR . 43.8 mt -80.1 118.73 28.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.931 0.396 . . . . 0.0 110.233 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.6 t -101.4 -175.85 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.515 -173.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.562 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 10.9 tp10 -67.13 139.26 57.49 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.104 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.562 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 58.7 m-85 55.82 51.37 12.4 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.366 0.603 . . . . 0.0 110.898 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.435 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 4.4 p -97.79 145.28 26.54 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.358 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.492 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 4.3 mp0 -89.84 123.07 33.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.159 0.504 . . . . 0.0 110.94 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.48 112.57 40.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.118 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.535 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 37.1 t -87.48 110.7 20.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.674 -177.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 58.3 t -95.75 108.98 21.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.037 0.446 . . . . 0.0 110.449 -178.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.429 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 45.3 m-85 -91.56 118.66 30.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.674 176.803 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.1 mt -85.3 110.92 19.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.194 0.521 . . . . 0.0 109.907 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -111.68 115.62 29.41 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.012 -177.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.5 t -78.75 97.85 6.05 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.463 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.3 145.07 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.722 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -106.21 172.52 6.77 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.858 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.41 ' HA ' ' HD3' ' A' ' 91' ' ' ARG . 21.7 mmt180 -88.38 101.74 14.19 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.174 0.512 . . . . 0.0 109.671 178.119 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.0 171.8 13.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.762 -172.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -94.55 -50.29 5.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.582 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 . . . . . 0 C--O 1.248 0.992 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.616 179.419 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.36 160.26 47.52 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.877 -0.678 . . . . 0.0 113.002 -177.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -119.76 142.74 48.28 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -89.18 -15.92 32.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.748 -168.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -92.06 -58.3 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.318 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -62.48 -32.47 73.37 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.945 0.402 . . . . 0.0 110.421 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -106.84 84.1 1.94 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 172.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -94.31 121.13 35.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.891 -172.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.497 ' HB3' ' HB3' ' A' ' 12' ' ' ALA . 45.3 m -138.34 168.5 19.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.322 -178.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -133.96 114.47 13.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.2 12.13 4.9 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.557 0.535 . . . . 0.0 111.995 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.497 ' HB3' ' HB3' ' A' ' 9' ' ' SER . . . -105.02 15.3 27.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.575 0.702 . . . . 0.0 110.458 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.4 m -88.14 165.75 2.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.412 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -99.28 120.38 39.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.187 0.517 . . . . 0.0 111.697 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -91.0 136.22 33.22 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 171.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.9 pt -96.59 144.4 10.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-O 121.317 0.58 . . . . 0.0 111.271 -173.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -82.47 100.19 9.91 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.298 175.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 m -93.07 141.76 14.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.495 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -90.64 109.28 20.45 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.2 t -95.51 109.54 22.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.065 0.46 . . . . 0.0 109.786 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.416 ' HG2' ' HG3' ' A' ' 26' ' ' GLN . 44.0 mtmt -96.71 101.05 12.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.326 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -92.64 152.05 41.6 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.119 171.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.39 -23.24 74.17 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.202 1.934 . . . . 0.0 111.547 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 m -87.56 -36.72 17.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.577 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -161.05 166.57 27.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.697 0.284 . . . . 0.0 110.826 -172.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . 0.416 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 27.6 tt0 -122.79 126.42 47.4 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.154 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -146.77 160.08 42.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.035 0.445 . . . . 0.0 110.956 -177.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.45 139.23 39.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.229 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.6 t -121.81 139.1 49.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -89.72 102.56 15.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.195 0.521 . . . . 0.0 110.455 175.538 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.514 HG13 ' HD2' ' A' ' 43' ' ' LYS . 35.4 m -122.57 145.82 28.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.592 177.396 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.43 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 10.4 t0 -70.97 139.95 50.74 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -75.87 -12.24 60.12 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.026 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 p -98.75 12.36 35.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.182 0.515 . . . . 0.0 110.664 172.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 10.4 tp10 -83.65 158.69 21.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.556 176.683 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 p -92.82 157.43 16.4 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.58 -176.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.508 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 95.8 t -59.83 -33.8 53.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.454 -178.801 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.554 ' HB3' ' HB3' ' A' ' 67' ' ' ASP . 1.0 OUTLIER -62.58 -37.45 86.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.536 179.745 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.434 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 17.4 m -79.28 -26.14 42.36 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.093 0.473 . . . . 0.0 109.824 -179.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.533 HD11 HD11 ' A' ' 71' ' ' LEU . 16.0 tp -60.27 -49.03 79.23 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HE3' HG11 ' A' ' 37' ' ' VAL . 92.2 mttt -61.98 -41.08 97.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.525 176.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.46 ' O ' HG13 ' A' ' 46' ' ' ILE . 21.7 t70 -57.4 -48.09 80.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.663 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.514 ' HD2' HG13 ' A' ' 31' ' ' VAL . 55.0 mttm -66.59 -43.47 84.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.213 -178.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.95 -39.65 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.486 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.67 -30.34 71.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.111 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.7 mt -75.22 -47.87 33.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.944 0.402 . . . . 0.0 110.894 178.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.75 -54.46 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.06 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -100.98 152.76 20.18 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.778 -177.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -93.41 81.04 4.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.372 0.606 . . . . 0.0 110.957 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' THR . . . . . 0.548 HG23 HD21 ' A' ' 86' ' ' LEU . 97.9 m -150.0 127.47 5.59 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.237 174.528 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -57.5 139.77 91.2 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.769 2.313 . . . . 0.0 111.577 173.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.71 -23.96 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 0.0 110.796 -178.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.531 ' HB3' ' HD3' ' A' ' 91' ' ' ARG . 63.4 mttp -76.56 -10.3 59.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.937 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -104.27 -45.64 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.602 0.239 . . . . 0.0 111.539 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -79.24 133.26 36.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.176 0.512 . . . . 0.0 111.37 -176.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -112.83 125.07 53.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.878 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.428 HD11 HD21 ' A' ' 40' ' ' LEU . 53.6 mt -87.74 128.87 35.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 -175.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' TYR . . . . . 0.554 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 51.8 m-85 -122.29 121.78 37.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 175.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.407 ' C ' ' HG ' ' A' ' 60' ' ' SER . 62.3 t80 -93.1 117.97 30.67 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 168.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.407 ' HG ' ' C ' ' A' ' 59' ' ' TYR . 78.1 p 55.54 -95.87 0.06 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.263 0.625 . . . . 0.0 111.055 -172.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -125.76 10.15 7.56 Favored Glycine 0 N--CA 1.453 -0.194 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.6 mt -105.68 130.25 57.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.921 -0.639 . . . . 0.0 110.052 -175.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.422 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 0.5 OUTLIER -85.37 141.47 29.99 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.036 0.446 . . . . 0.0 109.97 179.404 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.4 mt -89.95 88.3 7.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.161 0.505 . . . . 0.0 109.725 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.91 -35.54 17.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.112 -173.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -89.17 105.57 17.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.134 0.492 . . . . 0.0 111.54 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.554 ' HB3' ' HB3' ' A' ' 38' ' ' SER . 5.6 m-20 -63.23 -41.61 99.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.094 -178.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -68.15 -11.54 59.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.05 -176.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -77.89 143.96 37.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.805 0.336 . . . . 0.0 111.541 -177.013 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.54 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 14.4 m120 -80.41 149.53 30.12 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.41 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.533 HD11 HD11 ' A' ' 40' ' ' LEU . 66.3 mt -59.57 -31.01 69.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.691 0.758 . . . . 0.0 109.554 175.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -58.41 -36.94 74.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.946 175.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.54 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 10.4 mm-40 -66.02 -30.87 71.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.861 0.363 . . . . 0.0 110.649 -175.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -83.5 -13.28 54.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.876 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.86 37.93 12.43 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.757 -176.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.8 mt -85.44 120.54 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.05 0.452 . . . . 0.0 110.246 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.8 t -113.35 -174.85 2.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.691 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.438 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 26.0 tt0 -76.51 145.91 38.8 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PHE . . . . . 0.438 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 65.1 m-85 68.32 29.66 5.82 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.726 -176.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -85.84 164.32 17.59 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.166 174.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -106.62 119.07 38.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.401 0.619 . . . . 0.0 111.391 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.1 mm -108.87 106.55 20.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.034 173.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.554 ' HB ' ' HB2' ' A' ' 58' ' ' TYR . 12.2 t -89.83 122.14 40.84 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.818 -176.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.1 t -105.99 101.09 11.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.135 0.493 . . . . 0.0 110.755 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -95.46 119.21 33.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.115 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.548 HD21 HG23 ' A' ' 50' ' ' THR . 24.3 mt -85.53 116.01 23.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.166 -176.71 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.512 ' HA ' ' HZ3' ' A' ' 87' ' ' LYS . 2.0 mmpm? -85.85 115.09 23.28 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.24 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.5 m -76.79 60.3 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.403 0.62 . . . . 0.0 110.834 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.3 pt -114.47 133.73 59.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.633 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -90.27 95.37 10.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.852 177.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.531 ' HD3' ' HB3' ' A' ' 53' ' ' LYS . 46.6 mtp180 -88.61 106.65 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.049 0.452 . . . . 0.0 110.433 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -122.06 141.84 50.97 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.031 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -72.56 -21.29 61.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.378 0.609 . . . . 0.0 109.898 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.245 0.856 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.59 -174.068 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.9 pt -94.41 157.42 3.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.277 0.56 . . . . 0.0 110.729 -175.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.656 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 77.7 m80 -103.5 111.59 24.12 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.383 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -100.18 141.34 17.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.945 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -91.88 110.02 21.37 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.907 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.5 t -94.5 111.63 25.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.946 0.403 . . . . 0.0 109.957 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -108.61 114.5 28.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.671 -176.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.464 ' C ' ' H ' ' A' ' 24' ' ' SER . 27.4 m-85 -95.21 166.64 14.42 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.36 19.96 0.25 Allowed 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.758 2.306 . . . . 0.0 112.042 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 22' ' ' PHE . 13.9 p -150.63 -55.29 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.011 -176.359 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -119.34 165.21 14.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.18 -175.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -140.26 127.07 20.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.953 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -146.83 162.41 38.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.754 0.312 . . . . 0.0 110.376 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -111.43 141.15 45.36 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 t -126.93 139.62 51.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.083 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.656 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 50.3 mt-10 -88.92 112.92 23.88 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 121.422 0.63 . . . . 0.0 110.008 176.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.443 HG12 ' CD ' ' A' ' 43' ' ' LYS . 15.2 m -130.74 154.42 40.62 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.207 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -73.17 155.13 39.94 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.47 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -76.43 -19.83 57.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.007 0.432 . . . . 0.0 111.066 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.9 p -100.92 14.34 32.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.248 0.547 . . . . 0.0 110.504 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.415 ' HG3' ' HB2' ' A' ' 39' ' ' SER . 6.2 tp10 -63.51 140.03 58.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.296 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -74.4 154.42 38.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.268 178.349 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.7 -37.25 77.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.29 0.567 . . . . 0.0 109.716 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.577 ' HB3' ' CG ' ' A' ' 67' ' ' ASP . 2.8 p -62.18 -38.96 91.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.802 174.484 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.415 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 22.2 m -78.54 -22.06 47.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.23 0.538 . . . . 0.0 109.633 -174.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.771 HD23 HD13 ' A' ' 57' ' ' LEU . 15.9 tp -71.06 -50.0 38.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.52 -0.764 . . . . 0.0 108.988 173.644 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HB3' HG23 ' A' ' 52' ' ' ILE . 86.5 mttt -64.67 -33.6 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.785 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.448 ' O ' HG13 ' A' ' 46' ' ' ILE . 2.0 m-20 -54.74 -53.36 56.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.978 0.418 . . . . 0.0 110.591 174.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' CD ' HG12 ' A' ' 31' ' ' VAL . 57.9 mttp -62.18 -41.3 98.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.286 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 40' ' ' LEU . 68.1 mt -65.36 -38.15 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.66 0.267 . . . . 0.0 110.721 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -64.96 -30.26 71.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.989 0.423 . . . . 0.0 111.009 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 42' ' ' ASP . 86.4 mt -70.27 -32.09 49.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.005 0.431 . . . . 0.0 110.37 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.03 -54.95 7.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.514 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.558 ' CD ' ' H ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER -97.85 165.73 11.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.196 0.522 . . . . 0.0 110.585 -174.534 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.558 ' H ' ' CD ' ' A' ' 48' ' ' GLU . 32.5 m-80 -76.83 -27.88 55.32 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.419 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.565 HG21 HD22 ' A' ' 86' ' ' LEU . 21.3 m -57.04 126.46 73.29 Favored Pre-proline 0 C--O 1.235 0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 112.483 -175.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.712 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 39.7 Cg_exo -60.75 151.72 74.69 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 123.229 2.62 . . . . 0.0 112.164 171.393 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 41' ' ' LYS . 53.3 mt -60.36 -47.01 94.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -173.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -68.92 -21.18 64.23 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.712 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 3.6 mpt_? -89.76 -29.35 18.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.734 -0.387 . . . . 0.0 111.909 -174.611 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.564 ' HB3' HG21 ' A' ' 50' ' ' THR . 21.9 ptt? -90.47 129.09 36.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.986 0.422 . . . . 0.0 110.543 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.501 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 12.4 mm-40 -110.4 137.46 48.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.549 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.771 HD13 HD23 ' A' ' 40' ' ' LEU . 31.9 mt -99.0 128.96 45.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.038 -176.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -118.79 121.85 41.02 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.761 0.315 . . . . 0.0 110.589 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -114.94 102.06 9.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 m 51.48 33.13 9.79 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.666 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 113.44 -18.01 20.8 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.504 -0.855 . . . . 0.0 113.106 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.13 125.56 51.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 117.016 0.408 . . . . 0.0 110.641 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -79.66 118.7 21.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.835 174.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.639 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 22.5 mt -85.5 79.33 9.45 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.45 -8.86 18.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.558 -175.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.526 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . 65.4 m-20 -89.6 95.59 10.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.235 0.541 . . . . 0.0 110.839 -178.505 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.577 ' CG ' ' HB3' ' A' ' 38' ' ' SER . 17.9 t70 -58.92 -26.78 64.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.592 -176.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -86.58 -13.77 44.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.683 -173.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.526 ' HG3' ' HB3' ' A' ' 66' ' ' ASP . 63.4 mtp180 -89.47 166.87 13.42 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.95 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.508 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 90.8 m-20 -103.11 170.41 7.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.383 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.689 HD11 HD13 ' A' ' 40' ' ' LEU . 63.6 mt -68.32 -32.74 73.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.003 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.11 -28.42 70.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.37 -34.64 75.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.155 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -92.24 -12.33 32.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.52 55.72 3.85 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.028 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.484 HD12 HD22 ' A' ' 71' ' ' LEU . 59.2 mt -100.56 122.33 52.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -178.265 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 t -110.1 -171.65 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.623 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.479 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 35.5 tt0 -74.47 152.72 39.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.633 0.254 . . . . 0.0 110.948 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 68.11 21.82 8.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.483 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -73.06 146.06 46.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.381 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -100.51 100.9 11.71 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.12 0.486 . . . . 0.0 110.105 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.5 mm -94.43 106.7 18.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.646 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.66 115.65 29.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.534 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.5 t -97.18 107.59 20.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.986 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -96.13 118.76 33.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.239 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.565 HD22 HG21 ' A' ' 50' ' ' THR . 21.8 mt -85.93 119.6 26.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.728 -176.31 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 C--N 1.322 -0.625 0 CA-C-O 121.421 0.629 . . . . 0.0 110.089 -179.821 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt . . . . . 0 N--CA 1.441 -0.912 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.0 pt -88.16 142.9 12.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-O 121.495 0.664 . . . . 0.0 110.797 -172.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.5 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 66.5 m80 -94.21 101.17 13.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.917 -177.187 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 29' ' ' VAL . 35.3 m -90.28 147.99 4.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 -177.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 m -96.57 109.5 22.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.498 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.7 t -97.28 112.7 29.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.087 0.47 . . . . 0.0 109.904 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.595 ' HD2' ' HG3' ' A' ' 81' ' ' GLU . 50.3 mtpt -107.32 106.06 16.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.608 -174.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -92.85 160.45 33.99 Favored Pre-proline 0 C--N 1.318 -0.795 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.0 -18.91 64.1 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.463 2.108 . . . . 0.0 112.506 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.2 m -103.32 -28.44 11.85 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -163.18 165.08 24.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.046 0.45 . . . . 0.0 111.295 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.488 ' OE1' ' HE3' ' A' ' 21' ' ' LYS . 22.3 tt0 -129.45 136.59 50.1 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.028 178.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -148.6 166.92 26.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.673 0.273 . . . . 0.0 110.855 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -103.83 140.6 37.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.309 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 18' ' ' VAL . 57.8 t -126.28 140.86 47.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.093 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.5 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 43.9 mt-10 -92.12 120.05 32.36 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.443 0.639 . . . . 0.0 110.672 175.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.755 HG11 HD12 ' A' ' 40' ' ' LEU . 33.9 m -133.21 158.44 43.07 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.517 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -75.74 152.82 37.34 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.888 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -72.18 -23.84 61.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.801 0.334 . . . . 0.0 111.072 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.9 p -103.47 13.97 32.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.189 0.519 . . . . 0.0 110.189 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 33.0 tt0 -67.79 149.18 50.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.173 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 32.3 p -84.9 157.52 20.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.754 0.312 . . . . 0.0 110.689 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.476 HG12 ' HE3' ' A' ' 41' ' ' LYS . 61.4 t -60.36 -26.11 36.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.666 0.746 . . . . 0.0 109.788 176.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 t -63.86 -48.34 77.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.856 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.6 m -76.46 -21.56 55.71 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.534 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.755 HD12 HG11 ' A' ' 31' ' ' VAL . 12.1 tp -65.47 -53.98 34.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.501 175.269 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.542 ' HB3' HG23 ' A' ' 52' ' ' ILE . 89.5 mttt -62.26 -34.99 77.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.492 178.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.507 ' O ' HG13 ' A' ' 46' ' ' ILE . 21.8 t70 -56.46 -53.6 55.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.154 -177.114 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.452 ' CE ' HG12 ' A' ' 31' ' ' VAL . 37.3 mtmm -69.26 -33.14 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.74 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 40' ' ' LEU . 66.6 mt -62.07 -37.89 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 175.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -70.02 -29.77 66.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 42' ' ' ASP . 91.0 mt -73.69 -39.46 53.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.907 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.5 t -76.3 -47.85 29.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.154 0.502 . . . . 0.0 110.708 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 4.0 mm-40 -95.57 -170.27 2.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.567 -175.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -106.62 -40.53 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.931 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.447 HG21 ' HB3' ' A' ' 55' ' ' MET . 29.6 m -49.85 123.61 15.38 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.062 -176.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 40.7 Cg_exo -57.2 148.87 67.36 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.028 2.486 . . . . 0.0 111.812 173.338 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 41' ' ' LYS . 66.3 mt -60.73 -35.67 65.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.764 -173.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -78.45 -10.06 59.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.112 -174.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.529 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -103.56 -16.9 15.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 111.312 -175.663 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.447 ' HB3' HG21 ' A' ' 50' ' ' THR . 24.5 ptt? -110.26 135.78 50.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.285 178.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -110.77 132.51 54.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.374 -178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.466 HD13 HD23 ' A' ' 40' ' ' LEU . 54.7 mt -92.74 128.93 38.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.524 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.464 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 74.8 m-85 -121.49 120.9 36.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.888 0.375 . . . . 0.0 110.804 176.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -90.7 102.1 14.85 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.0 m 60.76 17.06 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.16 -16.32 20.23 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.125 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 59.9 mt -80.0 126.68 39.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 122.262 0.225 . . . . 0.0 110.54 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -78.47 118.91 21.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.819 0.342 . . . . 0.0 110.474 -177.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.8 mt -83.6 88.62 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.027 0.442 . . . . 0.0 110.21 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.87 -38.47 16.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.229 -174.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.509 ' HB2' ' HB2' ' A' ' 69' ' ' ARG . 24.9 m-20 -78.87 105.92 10.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.876 0.37 . . . . 0.0 110.599 -175.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -71.64 -27.38 63.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.577 0.703 . . . . 0.0 110.198 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -84.68 -9.98 57.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.613 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.509 ' HB2' ' HB2' ' A' ' 66' ' ' ASP . 12.4 mtt85 -83.08 152.1 25.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.163 0.506 . . . . 0.0 112.144 -176.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.488 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 8.5 m-20 -79.19 161.63 26.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.458 175.069 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.603 HD11 HD13 ' A' ' 40' ' ' LEU . 67.8 mt -68.0 -32.76 73.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.862 0.363 . . . . 0.0 110.679 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.417 ' OD1' ' HB3' ' A' ' 70' ' ' ASN . 2.5 p-10 -63.01 -27.56 69.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 177.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 14.3 mm-40 -55.62 -39.17 70.44 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.971 0.415 . . . . 0.0 110.906 175.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.447 ' HB2' HG13 ' A' ' 76' ' ' ILE . 81.3 m-85 -94.49 0.19 55.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.653 -178.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.82 30.37 61.71 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.411 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 71' ' ' LEU . 58.0 mt -76.13 119.11 23.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.082 0.468 . . . . 0.0 111.164 -177.346 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.2 t -114.55 -168.85 1.43 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.174 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.523 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 42.3 tt0 -72.7 147.81 45.31 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 42.3 m-85 62.71 33.78 15.25 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.511 0.672 . . . . 0.0 110.322 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 p -78.02 133.85 37.89 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.726 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.595 ' HG3' ' HD2' ' A' ' 21' ' ' LYS . 40.8 tt0 -90.9 103.95 16.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.343 0.592 . . . . 0.0 110.585 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.5 mm -98.6 108.49 22.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.854 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 t -91.3 122.31 42.59 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.567 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.51 103.74 15.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.099 0.476 . . . . 0.0 111.0 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.464 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 53.1 m-85 -91.61 130.63 37.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.727 176.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.4 mt -101.99 129.5 48.3 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.65 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 121.762 0.791 . . . . 0.0 110.605 -178.424 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 mptt . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.591 HG21 ' O ' ' A' ' 77' ' ' THR . 24.4 pt -110.14 172.42 2.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.429 -173.513 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.649 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 49.2 m80 -112.65 103.3 11.34 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.651 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 29' ' ' VAL . 34.7 m -87.43 146.33 6.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.53 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.524 ' HB ' ' HG2' ' A' ' 81' ' ' GLU . 27.3 m -100.73 109.79 21.84 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.2 t -91.63 116.76 33.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.109 0.48 . . . . 0.0 110.485 -177.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -103.31 105.69 16.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.127 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.421 ' C ' ' H ' ' A' ' 24' ' ' SER . 11.6 m-85 -94.29 156.62 38.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.92 33.86 0.28 Allowed 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 122.738 2.292 . . . . 0.0 112.698 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 22' ' ' PHE . 3.4 p -156.32 -53.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.602 -178.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.04 165.14 27.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.778 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -125.68 141.05 52.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.383 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -152.8 158.96 43.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m -101.36 144.55 30.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.586 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.401 ' O ' HG22 ' A' ' 18' ' ' VAL . 42.0 t -132.04 142.46 42.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.649 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 49.9 mt-10 -91.49 120.61 32.46 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.371 0.605 . . . . 0.0 110.889 177.389 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG12 ' HD2' ' A' ' 43' ' ' LYS . 5.6 m -137.32 154.58 30.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.195 177.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -75.0 152.37 38.74 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.85 -19.17 59.1 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.479 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.9 p -97.57 13.78 28.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.239 0.542 . . . . 0.0 110.194 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HG3' ' HB2' ' A' ' 39' ' ' SER . 5.4 tp10 -65.12 147.91 52.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.721 -178.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.2 149.11 29.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.407 173.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.516 HG12 ' HE3' ' A' ' 41' ' ' LYS . 53.7 t -59.18 -32.31 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.119 0.485 . . . . 0.0 110.39 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.619 ' HB3' ' HB3' ' A' ' 67' ' ' ASP . 12.4 p -60.98 -39.75 90.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.921 175.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.485 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 20.0 m -79.58 -17.63 53.47 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.036 -175.764 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.547 HD13 HD11 ' A' ' 71' ' ' LEU . 18.7 tp -72.69 -52.43 15.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.16 174.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.525 ' HB3' HG23 ' A' ' 52' ' ' ILE . 90.8 mttt -59.8 -37.51 79.34 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.067 176.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' O ' HG13 ' A' ' 46' ' ' ILE . 9.3 t70 -54.49 -54.05 46.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.046 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.575 ' HD2' HG12 ' A' ' 31' ' ' VAL . 62.2 mttp -62.95 -41.18 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.349 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.18 -35.45 75.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.823 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -71.13 -30.86 67.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.919 0.39 . . . . 0.0 111.136 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.7 mt -69.73 -27.77 34.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.341 0.591 . . . . 0.0 109.467 176.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.2 t -78.49 -60.04 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.319 175.058 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -111.01 152.34 26.95 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.195 0.521 . . . . 0.0 111.649 -168.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -71.6 -8.07 51.74 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.925 -171.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.535 HG21 HD22 ' A' ' 86' ' ' LEU . 26.0 m -70.3 123.25 88.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 121.316 0.579 . . . . 0.0 111.612 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.474 ' HG2' ' HD2' ' A' ' 54' ' ' ARG . 48.9 Cg_exo -56.52 143.29 88.52 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.452 2.768 . . . . 0.0 112.531 173.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.525 HG23 ' HB3' ' A' ' 41' ' ' LYS . 56.4 mt -60.73 -40.65 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.015 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -72.82 -9.68 58.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.474 ' HD2' ' HG2' ' A' ' 51' ' ' PRO . 60.1 mtt180 -100.3 -40.22 7.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.929 0.395 . . . . 0.0 111.296 -178.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.401 ' HB3' HG21 ' A' ' 50' ' ' THR . 26.0 ptt? -85.38 124.81 32.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.789 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.411 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 19.6 tt0 -111.68 131.06 55.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.472 -178.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.697 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . 41.2 mt -88.38 136.93 32.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.927 -174.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -128.81 122.27 30.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 175.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -101.43 107.36 18.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.0 t 64.53 -79.63 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.636 0.585 . . . . 0.0 110.208 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -143.64 8.53 2.05 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 55.9 mt -95.42 125.05 48.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.412 -0.394 . . . . 0.0 110.019 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -79.37 113.02 17.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.231 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.697 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 56.1 mt -83.44 77.16 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.378 0.608 . . . . 0.0 110.488 -177.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.36 -53.78 4.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.185 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -59.03 112.72 1.78 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.226 0.536 . . . . 0.0 111.661 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.619 ' HB3' ' HB3' ' A' ' 38' ' ' SER . 11.8 m-20 -76.43 -34.46 58.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.36 -177.353 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -76.17 -5.16 45.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.005 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -83.59 163.26 20.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.031 0.443 . . . . 0.0 111.101 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.455 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 5.1 m-20 -100.08 152.99 19.59 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.191 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 40' ' ' LEU . 60.1 mt -65.1 -36.85 85.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.679 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.455 ' OD1' ' HB3' ' A' ' 70' ' ' ASN . 3.5 p-10 -59.88 -28.09 67.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.545 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.455 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 42.3 mt-10 -66.54 -30.4 70.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.594 0.235 . . . . 0.0 111.225 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -86.95 -7.0 58.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.673 0.273 . . . . 0.0 111.373 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.33 24.78 18.01 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.123 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.541 HG23 ' OG ' ' A' ' 80' ' ' SER . 59.4 mt -82.72 106.72 13.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.318 0.58 . . . . 0.0 110.006 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.591 ' O ' HG21 ' A' ' 16' ' ' ILE . 1.7 t -108.82 -54.42 2.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.883 -174.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.555 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 9.5 tp10 -172.57 144.78 1.49 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.555 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 61.3 m-85 56.86 26.73 11.98 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.764 0.425 . . . . 0.0 111.713 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.541 ' OG ' HG23 ' A' ' 76' ' ' ILE . 6.0 p -73.68 125.25 27.62 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.524 ' HG2' ' HB ' ' A' ' 19' ' ' THR . 48.3 mt-10 -85.95 128.3 34.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.643 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.8 mm -112.91 117.72 56.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.5 t -91.84 119.1 38.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.0 t -96.12 103.69 14.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.196 0.522 . . . . 0.0 110.72 -176.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -91.36 112.4 24.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.214 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.535 HD22 HG21 ' A' ' 50' ' ' THR . 25.7 mt -80.34 103.41 10.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.854 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' A' ' 56' ' ' GLN . 23.6 mmtp . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 122.018 0.913 . . . . 0.0 108.643 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.559 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.495 HG23 ' HG2' ' A' ' 33' ' ' ARG . 31.8 pt -88.11 143.57 10.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.193 0.521 . . . . 0.0 110.229 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.432 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 59.6 m80 -91.27 102.65 15.36 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.382 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.7 m -91.36 141.27 14.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.224 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -101.39 109.84 21.74 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 177.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.74 116.29 31.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.707 -174.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.491 ' HE3' ' HG2' ' A' ' 81' ' ' GLU . 1.7 mptm? -94.68 110.13 22.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.078 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 5.7 m-85 -112.33 148.69 39.69 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.609 172.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -67.62 -10.59 29.25 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.133 1.889 . . . . 0.0 111.259 172.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 m -95.6 -37.81 10.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.013 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 20.1 ptpt -167.52 174.42 7.87 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.331 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -131.67 133.13 44.56 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -151.73 161.84 42.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.86 0.362 . . . . 0.0 111.188 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -107.79 143.69 36.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.812 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.1 t -130.14 141.7 45.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.349 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -89.82 109.15 20.16 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.272 0.558 . . . . 0.0 110.275 172.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.0 m -121.18 153.6 24.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.709 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 12.0 t70 -69.47 153.58 43.3 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.495 ' HG2' HG23 ' A' ' 16' ' ' ILE . 95.7 mtt180 -66.71 -28.05 68.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.261 0.553 . . . . 0.0 110.689 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.4 p -98.82 14.53 28.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.676 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 4.9 tp10 -58.0 129.81 43.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.25 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -71.72 154.58 41.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.296 176.719 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.432 HG12 ' HE3' ' A' ' 41' ' ' LYS . 87.0 t -61.78 -36.48 73.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.327 0.585 . . . . 0.0 109.787 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.6 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 1.7 p -62.94 -34.16 76.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.765 174.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 m -79.75 -32.49 41.05 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.957 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.641 HD13 HD11 ' A' ' 71' ' ' LEU . 18.4 tp -62.38 -44.87 95.44 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.657 176.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HE3' HG12 ' A' ' 37' ' ' VAL . 92.3 mttt -58.26 -44.85 88.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.79 177.228 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.518 ' O ' HG13 ' A' ' 46' ' ' ILE . 33.6 t70 -63.54 -43.19 97.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.468 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -54.77 -50.48 68.35 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.629 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.71 -38.87 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.823 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.77 -30.87 71.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.517 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 42' ' ' ASP . 98.9 mt -73.36 -36.83 49.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.973 0.416 . . . . 0.0 110.922 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.0 t -81.13 -49.99 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.072 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -93.12 -171.62 2.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -99.49 -45.14 5.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.255 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.46 HG21 ' HB3' ' A' ' 55' ' ' MET . 16.4 m -46.3 126.75 7.58 Favored Pre-proline 0 C--O 1.236 0.375 0 CA-C-N 114.799 -1.091 . . . . 0.0 113.274 -172.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 50' ' ' THR . 35.6 Cg_exo -60.27 147.06 95.06 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 123.406 2.737 . . . . 0.0 112.039 171.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.43 ' CG2' ' HD3' ' A' ' 41' ' ' LYS . 84.8 mt -61.43 -29.06 45.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.742 -176.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HE3' ' HB2' ' A' ' 53' ' ' LYS . 48.8 mtmt -63.43 -37.89 89.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.952 0.406 . . . . 0.0 111.96 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 54' ' ' ARG . 48.9 mtt180 -92.06 -36.03 13.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.834 -168.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.46 ' HB3' HG21 ' A' ' 50' ' ' THR . 26.7 ptt? -83.01 130.01 35.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.11 0.481 . . . . 0.0 111.008 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -115.19 135.76 53.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.786 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.58 HD13 HD23 ' A' ' 40' ' ' LEU . 43.3 mt -95.6 128.76 42.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.171 -173.009 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.497 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 63.8 m-85 -129.23 137.98 51.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.415 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -123.45 112.57 17.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.151 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.2 t 65.79 -88.67 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 O-C-N 123.611 0.57 . . . . 0.0 110.051 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.77 9.56 3.67 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 173.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.4 mt -98.34 126.58 51.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.111 -0.545 . . . . 0.0 110.513 -176.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -80.45 120.02 23.9 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.925 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.3 mt -80.66 80.3 7.14 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.93 -33.57 13.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.1 -175.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.484 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 59.3 m-20 -71.82 96.67 1.68 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.086 0.469 . . . . 0.0 110.663 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.6 ' OD2' ' HB3' ' A' ' 38' ' ' SER . 17.2 t70 -66.52 -27.54 67.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.541 -178.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -82.21 -11.38 58.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.527 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -85.67 164.79 17.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 111.494 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.56 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 1.8 m-20 -106.31 166.99 10.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.467 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.641 HD11 HD13 ' A' ' 40' ' ' LEU . 56.5 mt -64.1 -38.63 91.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.855 0.36 . . . . 0.0 111.318 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -59.36 -27.95 66.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.111 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 6.1 mm-40 -59.97 -33.33 71.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.79 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.484 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 62.5 m-85 -97.29 -5.57 36.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.931 0.396 . . . . 0.0 110.712 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.01 26.42 53.16 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.31 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.502 HD12 HD22 ' A' ' 71' ' ' LEU . 52.7 mt -70.6 113.46 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.156 0.503 . . . . 0.0 110.558 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 t -103.38 -168.43 1.51 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.133 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 40.6 tt0 -78.0 151.03 33.79 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 70.9 22.15 4.78 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.615 0.721 . . . . 0.0 109.85 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -75.96 126.31 30.76 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.514 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.491 ' HG2' ' HE3' ' A' ' 21' ' ' LYS . 60.6 mt-10 -85.78 99.63 11.48 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.41 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.2 mm -84.75 111.91 21.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.427 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 t -91.54 112.18 25.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.779 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 43.3 t -98.8 109.94 25.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.188 0.518 . . . . 0.0 110.184 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.497 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 39.3 m-85 -90.91 109.49 20.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.253 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.403 HD22 HG21 ' A' ' 50' ' ' THR . 16.8 mt -82.95 108.33 16.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.126 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.99 179.24 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mptt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 121.09 0.471 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -99.93 162.39 3.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.748 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.607 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 67.2 m80 -106.75 108.09 19.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.245 -178.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.8 m -97.12 146.05 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.688 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.0 m -103.08 112.33 25.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.406 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.9 t -94.61 119.16 42.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.635 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.768 ' HD2' ' HG2' ' A' ' 81' ' ' GLU . 39.8 mtpt -99.65 107.24 19.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.997 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.529 ' HZ ' ' SD ' ' A' ' 55' ' ' MET . 1.1 m-85 -115.05 150.72 44.72 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.385 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.461 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 15.9 Cg_endo -60.31 -24.95 79.03 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.381 2.054 . . . . 0.0 110.88 170.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 m -72.21 -50.76 24.98 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.397 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -169.66 173.98 6.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.872 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -123.71 126.05 45.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 175.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -142.38 167.61 21.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.808 0.337 . . . . 0.0 111.488 -174.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -110.77 141.24 44.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.541 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.0 t -127.73 142.96 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.369 -0.378 . . . . 0.0 109.983 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.607 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 46.7 mt-10 -94.85 120.25 34.76 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.379 0.609 . . . . 0.0 110.344 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.548 HG11 HD12 ' A' ' 40' ' ' LEU . 11.5 m -136.96 152.17 28.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.309 -178.287 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.521 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 11.4 t70 -75.12 155.82 36.65 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.486 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -70.39 -33.24 71.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.217 0.532 . . . . 0.0 110.235 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.7 p -93.9 13.63 22.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.35 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 24.5 tt0 -73.58 141.99 46.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.467 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.9 p -85.45 154.57 21.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.615 0.245 . . . . 0.0 111.074 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.605 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 60.9 t -58.61 -29.95 40.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.07 0.462 . . . . 0.0 110.643 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.602 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 7.8 t -62.15 -42.06 98.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.498 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.1 m -71.9 -33.64 68.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.008 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 71' ' ' LEU . 11.6 tp -60.43 -52.2 66.22 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.854 178.044 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -57.68 -44.52 85.84 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.942 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.498 ' O ' HG13 ' A' ' 46' ' ' ILE . 23.3 t70 -56.6 -48.39 77.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.977 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.485 ' NZ ' ' HA ' ' A' ' 31' ' ' VAL . 93.8 mttt -59.35 -48.56 81.16 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.42 179.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.3 mt -61.14 -38.07 78.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.598 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -64.06 -29.92 71.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.387 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 42' ' ' ASP . 83.7 mt -75.67 -37.0 35.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.994 0.426 . . . . 0.0 110.615 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -78.79 -51.53 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.4 141.36 32.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.916 -177.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -81.89 40.48 0.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.191 0.52 . . . . 0.0 110.883 -175.196 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.5 m -116.64 117.56 37.79 Favored Pre-proline 0 N--CA 1.447 -0.594 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.814 -178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.526 ' HD2' ' HD2' ' A' ' 54' ' ' ARG . 72.2 Cg_exo -51.06 141.87 36.36 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.316 2.677 . . . . 0.0 112.451 173.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.38 -28.44 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.649 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -65.46 -20.32 66.31 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HD2' ' HD2' ' A' ' 51' ' ' PRO . 99.1 mtt180 -91.34 -40.25 11.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.883 0.373 . . . . 0.0 111.075 -176.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.529 ' SD ' ' HZ ' ' A' ' 22' ' ' PHE . 26.5 ptt? -93.04 123.87 36.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.904 -174.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -106.56 133.69 50.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.954 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.2 mt -93.35 128.49 39.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.535 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 77.4 m-85 -128.59 139.48 52.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.71 176.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.463 ' CD2' HG12 ' A' ' 76' ' ' ILE . 33.7 t80 -137.21 115.71 11.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.21 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.7 p 52.83 32.3 12.11 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.503 0.721 . . . . 0.0 111.78 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.81 0.57 83.59 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.919 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.1 mt -91.3 126.43 43.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -81.51 117.6 22.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.121 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.2 mt -82.54 75.57 9.44 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.62 -21.3 18.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.008 -175.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.445 ' HB2' ' CD ' ' A' ' 69' ' ' ARG . 69.3 m-20 -98.25 112.35 24.37 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.337 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.605 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 15.8 m-20 -76.27 -20.37 57.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.714 -175.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -87.48 -8.85 55.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.0 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.472 ' HD3' ' OH ' ' A' ' 74' ' ' TYR . 14.3 mtp180 -81.94 151.7 27.1 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 120.906 0.384 . . . . 0.0 110.248 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.579 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 2.9 m-20 -85.79 158.26 20.04 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.158 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.657 HD11 HD13 ' A' ' 40' ' ' LEU . 74.6 mt -65.77 -34.88 79.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.883 0.373 . . . . 0.0 110.826 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -64.74 -27.57 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.997 178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.579 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 11.2 mm-40 -57.93 -43.62 86.4 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.083 0.468 . . . . 0.0 110.264 177.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.472 ' OH ' ' HD3' ' A' ' 69' ' ' ARG . 90.6 m-85 -78.97 -10.75 59.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.874 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.86 30.77 22.62 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.987 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.463 HG12 ' CD2' ' A' ' 59' ' ' TYR . 49.7 mt -79.11 113.71 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.032 0.444 . . . . 0.0 110.729 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.5 t -106.51 -171.39 1.88 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.522 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.461 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 42.1 tt0 -71.19 149.58 46.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.669 0.271 . . . . 0.0 110.484 178.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.0 t80 66.61 26.41 9.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.799 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 p -74.28 125.14 27.8 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.226 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.768 ' HG2' ' HD2' ' A' ' 21' ' ' LYS . 30.4 tt0 -90.73 106.19 18.34 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.206 0.527 . . . . 0.0 110.005 -176.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.0 mm -90.52 112.73 25.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.004 -178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.2 t -88.48 114.87 27.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.673 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.425 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 62.0 t -92.22 112.16 25.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.176 0.512 . . . . 0.0 110.624 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.535 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 51.9 m-85 -99.51 121.32 40.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.646 176.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 55' ' ' MET . 41.4 mt -88.8 145.8 25.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.965 0.412 . . . . 0.0 110.655 -177.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.682 ' HE2' ' HA ' ' A' ' 87' ' ' LYS . 11.0 mmpt? . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.092 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.7 pt -93.76 143.74 10.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 121.148 0.499 . . . . 0.0 109.842 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.63 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 77.8 m80 -95.19 103.25 15.1 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.005 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -90.89 143.54 11.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -177.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.408 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 26.3 m -93.12 109.99 21.48 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.064 177.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.43 113.75 28.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.16 0.505 . . . . 0.0 110.437 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -97.74 108.64 21.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.599 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -102.78 153.02 38.52 Favored Pre-proline 0 C--N 1.317 -0.847 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 170.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -58.78 -25.12 74.81 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.443 2.095 . . . . 0.0 111.554 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 m -82.04 -54.66 5.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.052 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -153.68 172.02 17.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.05 0.452 . . . . 0.0 111.328 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -120.93 139.34 53.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.991 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -153.46 162.98 40.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.454 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 m -106.37 142.77 35.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.9 t -127.96 140.51 48.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.271 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.63 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 50.6 mt-10 -87.38 119.55 27.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.58 0.705 . . . . 0.0 110.488 175.344 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.581 HG11 HD12 ' A' ' 40' ' ' LEU . 35.7 m -132.67 147.16 31.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.423 177.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 11.8 t70 -70.0 155.57 40.4 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -76.27 -19.29 58.45 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.102 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.0 p -100.57 14.07 32.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.049 173.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 3.9 tp10 -60.14 133.76 56.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.239 175.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 4.7 p -72.23 152.86 41.92 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.38 175.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.555 HG12 ' HE3' ' A' ' 41' ' ' LYS . 40.7 t -60.97 -31.21 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.659 0.743 . . . . 0.0 109.317 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 t -61.09 -40.18 92.72 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.594 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.412 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 50.0 m -79.74 -25.29 41.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.474 -175.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.588 HD23 HD13 ' A' ' 57' ' ' LEU . 16.5 tp -60.55 -52.15 66.42 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 173.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.555 ' HE3' HG12 ' A' ' 37' ' ' VAL . 82.1 mttt -63.99 -39.73 94.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.535 176.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' HG13 ' A' ' 46' ' ' ILE . 18.1 t70 -56.47 -50.63 71.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.38 -176.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -71.65 -33.01 68.54 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 40' ' ' LEU . 77.0 mt -63.0 -35.73 72.77 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 172.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -68.92 -29.03 67.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.894 0.378 . . . . 0.0 111.26 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.9 mt -75.37 -40.63 42.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.802 0.335 . . . . 0.0 110.532 178.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.5 t -77.56 -51.27 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.207 0.527 . . . . 0.0 110.814 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -101.21 148.38 25.17 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.153 -176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -87.3 13.33 9.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.965 0.412 . . . . 0.0 111.493 -173.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.445 HG21 ' HB3' ' A' ' 55' ' ' MET . 7.3 m -80.56 129.02 70.35 Favored Pre-proline 0 N--CA 1.446 -0.626 0 CA-C-O 121.064 0.459 . . . . 0.0 111.076 -178.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.76 135.55 69.94 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.982 2.455 . . . . 0.0 112.053 172.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 41' ' ' LYS . 53.1 mt -61.12 -37.17 76.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.089 -176.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -69.19 -14.7 63.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -107.53 -30.63 8.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.445 ' HB3' HG21 ' A' ' 50' ' ' THR . 26.0 ptt? -87.94 114.27 24.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.277 0.56 . . . . 0.0 110.646 176.188 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -103.11 134.45 46.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.501 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.588 HD13 HD23 ' A' ' 40' ' ' LEU . 18.6 mt -94.32 128.3 40.74 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.111 -176.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.603 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 48.5 m-85 -119.26 129.62 55.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.015 0.435 . . . . 0.0 111.045 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -126.01 120.45 30.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.792 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t 65.23 -92.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.54 0.525 . . . . 0.0 109.717 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.93 19.79 3.27 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 174.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 42.1 mt -120.57 132.32 70.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.621 -0.29 . . . . 0.0 110.432 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.603 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 15.3 pt-20 -85.36 138.65 32.14 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 171.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.4 mt -82.08 73.77 9.1 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.627 0.727 . . . . 0.0 110.17 -174.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.74 -43.91 52.5 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.063 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.581 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . 8.4 m-20 -63.79 119.57 10.21 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.009 0.433 . . . . 0.0 109.948 178.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -96.1 -27.77 14.92 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.944 -174.59 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -86.52 -3.76 59.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.018 -173.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.581 ' HG3' ' HB3' ' A' ' 66' ' ' ASP . 13.4 mtp180 -91.24 168.47 11.58 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.835 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 8.7 m120 -98.55 160.54 14.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.268 177.719 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.577 HD11 HD13 ' A' ' 40' ' ' LEU . 72.2 mt -63.33 -31.98 73.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.707 0.289 . . . . 0.0 111.516 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -62.44 -27.71 69.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.077 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -58.96 -33.28 70.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.747 0.308 . . . . 0.0 111.489 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.498 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 89.7 m-85 -89.69 -2.82 58.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.134 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.18 31.5 59.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.915 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.406 HG13 ' HB2' ' A' ' 74' ' ' TYR . 53.5 mt -71.14 128.48 34.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.417 0.627 . . . . 0.0 111.319 -177.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.0 t -103.86 -175.48 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.998 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.437 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 29.9 tt0 -85.63 146.86 26.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.648 0.261 . . . . 0.0 110.555 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.9 t80 65.67 25.91 11.51 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.625 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -70.52 134.68 47.93 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.852 176.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.408 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 35.3 tt0 -85.51 99.85 11.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.234 0.54 . . . . 0.0 110.798 -176.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.4 mm -90.45 108.09 19.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.506 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.2 t -90.68 115.25 29.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.862 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.54 103.73 14.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.32 0.581 . . . . 0.0 110.514 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.44 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 34.8 m-85 -91.31 114.53 27.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.055 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.2 mt -80.63 124.82 29.31 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.037 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt . . . . . 0 C--N 1.323 -0.543 0 CA-C-O 121.527 0.679 . . . . 0.0 109.914 177.767 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? . . . . . 0 C--O 1.235 0.333 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.5 pt -89.05 145.39 7.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.827 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.441 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 61.5 m80 -91.24 106.75 18.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.789 177.136 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -95.35 145.21 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.822 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.4 HG21 HE21 ' A' ' 26' ' ' GLN . 82.3 m -100.51 111.09 23.3 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.063 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.34 121.77 43.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.339 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -100.55 101.56 12.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.438 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.445 ' CD1' ' HD2' ' A' ' 23' ' ' PRO . 2.5 m-85 -105.17 155.96 36.93 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.903 175.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.445 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 16.0 Cg_endo -59.2 -26.02 80.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.236 1.957 . . . . 0.0 111.133 172.428 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.8 m -68.02 -58.91 3.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.482 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -167.23 173.29 9.13 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.163 0.506 . . . . 0.0 111.114 -174.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.4 HE21 HG21 ' A' ' 19' ' ' THR . 45.4 tt0 -102.71 126.29 49.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.307 174.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -143.95 163.4 33.58 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.014 -0.275 . . . . 0.0 110.843 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -111.96 143.04 43.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.355 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.1 t -129.71 146.19 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.304 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.86 118.14 28.35 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.036 0.446 . . . . 0.0 110.237 174.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.522 HG11 ' CD1' ' A' ' 40' ' ' LEU . 19.6 m -135.09 152.61 32.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.815 177.124 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -76.04 150.75 37.29 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -75.88 -22.27 56.31 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.314 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 p -98.03 14.27 28.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.237 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' A' ' 39' ' ' SER . 5.4 tp10 -72.04 146.39 47.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.411 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 1.9 p -82.41 156.28 24.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.271 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.67 -35.96 72.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.868 0.366 . . . . 0.0 110.495 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 t -57.76 -41.2 81.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.266 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.426 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 16.6 m -79.44 -18.45 52.13 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.903 -177.257 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.812 HD23 HD13 ' A' ' 57' ' ' LEU . 19.0 tp -73.09 -52.44 14.29 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.617 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.32 -33.12 75.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.712 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.408 ' O ' HG13 ' A' ' 46' ' ' ILE . 32.4 t70 -54.85 -50.49 68.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.313 175.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HD2' HG12 ' A' ' 31' ' ' VAL . 59.9 mttp -61.81 -47.2 86.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.148 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 40' ' ' LEU . 65.8 mt -60.05 -39.44 80.35 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.182 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.373 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -66.25 -30.38 70.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.897 0.38 . . . . 0.0 111.135 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 42' ' ' ASP . 90.4 mt -71.97 -34.66 51.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.998 0.427 . . . . 0.0 110.699 177.278 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 68.3 t -81.15 -56.07 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.76 -174.62 4.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.457 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -102.27 -20.18 14.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.682 0.277 . . . . 0.0 111.096 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.592 HG21 HD22 ' A' ' 86' ' ' LEU . 10.5 m -62.27 128.76 91.6 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 121.363 0.601 . . . . 0.0 112.366 -173.386 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.22 146.58 81.17 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.31 2.673 . . . . 0.0 112.287 172.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.91 -32.15 54.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.34 -15.76 59.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.734 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -98.0 -31.23 12.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.943 0.402 . . . . 0.0 111.387 -172.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.492 ' HB3' HG21 ' A' ' 50' ' ' THR . 23.2 ptt? -96.97 133.14 42.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.077 0.465 . . . . 0.0 111.562 -178.251 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.489 ' HB2' ' HD3' ' A' ' 87' ' ' LYS . 4.0 tp-100 -114.17 143.1 45.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.859 177.143 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.812 HD13 HD23 ' A' ' 40' ' ' LEU . 42.6 mt -99.74 130.19 45.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.529 -176.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.533 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 82.6 m-85 -123.68 123.11 39.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.957 0.408 . . . . 0.0 110.83 178.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -116.97 110.76 18.69 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.259 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.9 m 61.3 26.86 16.63 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.1 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.68 -15.62 60.69 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.398 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.8 mt -83.78 123.26 38.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.648 0.261 . . . . 0.0 110.846 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -76.45 115.68 16.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.014 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.7 mt -82.0 79.35 8.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.809 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.38 -32.47 19.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.14 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.409 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 4.5 m-20 -68.36 100.73 1.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.249 0.547 . . . . 0.0 110.511 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -72.52 -33.94 67.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.055 -174.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -80.6 -5.21 56.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.552 -175.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.04 160.45 18.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.121 0.486 . . . . 0.0 111.995 -175.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.512 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 3.5 m-20 -91.83 158.9 16.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.936 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.745 HD21 HD22 ' A' ' 40' ' ' LEU . 81.9 mt -69.26 -33.06 72.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.745 0.307 . . . . 0.0 111.265 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -63.1 -28.1 69.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.8 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.512 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 36.6 mm-40 -55.56 -36.1 66.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.136 0.493 . . . . 0.0 110.918 176.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.525 ' HB2' HG13 ' A' ' 76' ' ' ILE . 47.2 m-85 -93.68 3.9 54.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.775 -176.414 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.36 17.59 79.75 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.605 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.525 HG13 ' HB2' ' A' ' 74' ' ' TYR . 64.7 mt -66.7 135.74 27.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.025 0.441 . . . . 0.0 111.35 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.4 t -129.83 -174.18 3.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.64 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.441 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 39.2 tt0 -69.12 152.09 45.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.686 0.279 . . . . 0.0 110.94 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.5 t80 71.47 15.5 6.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.673 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.3 p -75.6 141.87 42.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.954 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -101.79 109.43 21.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.147 0.498 . . . . 0.0 110.352 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.9 mm -92.88 113.87 28.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.562 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -88.07 119.72 35.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.625 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.19 108.82 24.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.07 0.462 . . . . 0.0 110.994 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.533 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 45.1 m-85 -96.73 133.22 41.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.596 174.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.592 HD22 HG21 ' A' ' 50' ' ' THR . 22.8 mt -96.09 141.01 29.98 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.656 -176.363 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.516 ' HB3' ' NZ ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.96 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.578 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.8 pt -98.45 148.39 6.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-O 121.424 0.631 . . . . 0.0 111.795 -169.114 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -91.91 109.79 21.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.836 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -99.84 133.98 40.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -92.73 109.78 21.21 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -92.58 117.25 35.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.561 -176.669 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -99.71 105.64 17.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.242 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -99.25 154.24 37.4 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.056 174.247 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.28 -18.46 52.56 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.619 2.213 . . . . 0.0 111.877 174.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.9 m -85.05 -67.46 0.8 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.215 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.64 174.51 11.37 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.956 0.408 . . . . 0.0 110.759 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -110.81 139.99 45.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.55 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -154.17 164.21 38.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.622 0.249 . . . . 0.0 110.417 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -110.05 140.86 43.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.836 0.351 . . . . 0.0 110.386 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.4 t -125.41 143.49 38.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -98.11 117.42 32.43 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 121.134 0.492 . . . . 0.0 110.53 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.615 HG11 HD12 ' A' ' 40' ' ' LEU . 26.1 m -128.64 159.31 40.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.502 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.432 ' HA ' ' HG3' ' A' ' 15' ' ' LYS . 8.5 t70 -69.44 146.39 52.03 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -75.27 -14.76 60.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.883 0.373 . . . . 0.0 111.117 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.5 p -103.81 14.57 30.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.359 0.599 . . . . 0.0 110.295 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 10.3 tt0 -75.14 152.03 38.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.211 -176.728 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.496 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 24.9 p -89.88 159.51 16.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.563 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 57.9 t -63.64 -34.32 67.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.084 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.543 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 9.3 t -65.91 -33.91 76.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.477 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.1 t -79.32 -24.13 43.02 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.64 HD13 HD11 ' A' ' 71' ' ' LEU . 15.7 tp -69.79 -52.61 23.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.944 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HB3' HG23 ' A' ' 52' ' ' ILE . 94.9 mttt -62.03 -30.25 70.84 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.056 176.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.423 ' O ' HG13 ' A' ' 46' ' ' ILE . 23.3 t70 -60.08 -50.5 73.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.937 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.56 ' HD2' HG12 ' A' ' 31' ' ' VAL . 58.9 mttp -64.69 -41.41 96.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.3 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.4 mt -61.0 -33.88 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.481 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -69.62 -30.41 68.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.122 177.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 42' ' ' ASP . 74.8 mt -77.58 -36.15 22.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.978 0.418 . . . . 0.0 110.771 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.1 t -81.51 -51.58 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -95.88 154.19 17.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.419 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.47 52.07 2.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.006 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.8 m -137.6 120.81 11.49 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.1 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -62.21 149.6 89.98 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.897 2.398 . . . . 0.0 111.844 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 41' ' ' LYS . 68.5 mt -63.64 -29.49 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.332 0.586 . . . . 0.0 110.534 -177.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -73.63 -10.5 59.76 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.47 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -103.81 -22.26 13.55 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -178.692 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -115.23 145.57 42.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.971 0.415 . . . . 0.0 111.731 -174.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -123.57 141.29 52.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.762 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.8 mt -98.67 134.23 41.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.787 0.327 . . . . 0.0 110.772 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -122.24 129.37 52.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.673 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -129.43 116.88 19.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.172 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.6 t 61.85 27.89 17.03 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.486 0.66 . . . . 0.0 110.189 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.1 -15.58 60.66 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.11 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 61.8 mt -80.62 126.6 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.623 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -79.1 116.33 19.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.472 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.9 mt -79.27 74.74 5.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.368 0.604 . . . . 0.0 110.673 -176.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.4 -24.01 22.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.081 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.5 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 70.2 m-20 -78.89 94.11 5.15 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 177.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.563 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 33.4 m-20 -71.12 -32.56 69.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.245 0.545 . . . . 0.0 110.947 -177.157 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -72.04 -19.42 61.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.429 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -72.98 153.62 40.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.084 0.469 . . . . 0.0 111.511 -177.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.574 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 3.9 m-20 -89.7 154.75 19.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.772 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.64 HD11 HD13 ' A' ' 40' ' ' LEU . 55.9 mt -64.03 -39.24 93.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.913 0.387 . . . . 0.0 110.823 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -61.52 -27.49 68.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.491 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.574 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 38.4 mt-10 -65.48 -35.87 82.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.614 0.245 . . . . 0.0 110.91 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.5 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 98.1 m-85 -77.17 -28.1 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.33 0.586 . . . . 0.0 109.93 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.26 9.79 28.86 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.274 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.634 ' HB ' ' HB3' ' A' ' 71' ' ' LEU . 62.6 mt -64.92 124.35 19.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.84 0.353 . . . . 0.0 110.218 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.3 t -144.21 -162.86 1.56 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.55 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' HG2' ' HD1' ' A' ' 79' ' ' PHE . 33.2 tt0 -55.36 128.46 34.32 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.388 0.675 . . . . 0.0 111.389 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.404 ' HD1' ' HG2' ' A' ' 78' ' ' GLU . 5.9 m-85 68.88 31.27 4.37 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.725 0.641 . . . . 0.0 112.262 176.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.2 p -81.63 141.14 33.95 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 174.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -93.77 120.38 33.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.052 0.453 . . . . 0.0 110.51 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.7 mm -110.49 113.91 45.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.789 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.6 t -97.32 127.25 49.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.306 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 56.8 t -104.98 112.04 36.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.977 0.418 . . . . 0.0 110.915 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -101.82 137.65 39.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.781 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.0 mt -99.49 119.76 38.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.741 0.781 . . . . 0.0 110.717 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? . . . . . 0 C--N 1.317 -0.84 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.077 -177.526 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.8 pt -97.52 145.86 8.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.347 0.594 . . . . 0.0 111.452 -171.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.648 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 73.7 m80 -98.94 102.68 14.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.3 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.1 m -86.74 134.85 26.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.062 0.458 . . . . 0.0 110.538 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.504 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 29.1 m -90.85 110.03 21.24 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.1 t -92.67 112.06 25.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.932 0.396 . . . . 0.0 110.211 -176.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.639 ' HE2' ' HB3' ' A' ' 81' ' ' GLU . 66.8 mttm -97.81 108.8 21.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.272 -177.722 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -101.5 154.4 37.27 Favored Pre-proline 0 C--N 1.319 -0.756 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 172.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.4 -15.01 45.77 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.505 2.137 . . . . 0.0 112.526 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.5 m -116.88 -11.3 10.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -165.79 173.28 10.81 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.841 0.353 . . . . 0.0 110.927 -176.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.504 ' OE1' ' HG2' ' A' ' 21' ' ' LYS . 29.8 tt0 -148.48 126.7 12.17 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -141.14 175.23 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.313 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -118.38 143.58 46.54 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.1 t -125.6 136.21 61.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.648 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 46.2 mt-10 -93.22 113.67 25.94 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.577 0.703 . . . . 0.0 110.369 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.617 HG11 HD12 ' A' ' 40' ' ' LEU . 28.3 m -131.45 148.53 32.67 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.833 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -68.99 161.1 29.67 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.195 0.521 . . . . 0.0 110.965 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HE ' ' HB2' ' A' ' 33' ' ' ARG . 7.5 ttm180 -73.53 -26.43 60.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.405 0.621 . . . . 0.0 110.242 -177.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.3 p -99.33 13.85 31.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.522 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.12 143.09 54.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.864 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.0 p -78.86 152.18 31.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.747 0.308 . . . . 0.0 110.537 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.588 HG12 ' HE3' ' A' ' 41' ' ' LYS . 22.0 t -60.71 -32.96 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.07 0.462 . . . . 0.0 110.107 177.777 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.527 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 2.2 t -69.2 -31.8 70.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.271 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.1 t -79.17 -30.39 43.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.691 HD23 HD13 ' A' ' 57' ' ' LEU . 20.5 tp -59.1 -52.45 65.67 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.336 173.752 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.588 ' HE3' HG12 ' A' ' 37' ' ' VAL . 87.8 mttt -56.62 -45.59 81.41 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.966 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.487 ' O ' HG13 ' A' ' 46' ' ' ILE . 33.5 t70 -62.14 -45.02 95.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.022 -176.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -64.7 -40.35 95.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.412 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 40' ' ' LEU . 77.4 mt -63.63 -37.04 78.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.891 0.377 . . . . 0.0 110.2 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -64.29 -28.68 69.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.993 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.5 mt -75.42 -31.66 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.962 0.41 . . . . 0.0 110.332 177.31 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.2 t -82.23 -54.48 9.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.114 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.8 153.69 18.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.686 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -83.64 -1.93 55.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.828 0.347 . . . . 0.0 111.54 -175.368 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.483 HG23 ' HD3' ' A' ' 54' ' ' ARG . 97.6 m -73.27 126.23 90.31 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.139 0.495 . . . . 0.0 111.676 -178.592 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.574 ' HG2' ' HB2' ' A' ' 54' ' ' ARG . 8.7 Cg_endo -55.33 148.47 50.96 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.072 2.515 . . . . 0.0 112.334 173.442 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.61 -25.85 37.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.78 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 3.4 mptp? -75.74 -23.23 56.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.829 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.574 ' HB2' ' HG2' ' A' ' 51' ' ' PRO . 36.7 ttt180 -88.53 -29.46 20.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.006 -174.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.424 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 25.8 ptt? -106.78 134.8 49.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.008 -175.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -119.14 133.16 55.94 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.948 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.691 HD13 HD23 ' A' ' 40' ' ' LEU . 22.3 mt -86.27 131.82 34.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.5 -176.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 59.5 m-85 -128.78 123.59 33.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.032 0.444 . . . . 0.0 110.901 176.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -107.21 126.76 52.83 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 174.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.4 p 55.59 -95.85 0.06 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.826 0.704 . . . . 0.0 110.835 -173.027 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -133.98 24.01 3.66 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.65 132.43 71.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.275 -0.463 . . . . 0.0 110.311 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -83.23 140.32 32.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.277 0.56 . . . . 0.0 110.818 -179.542 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.625 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 49.7 mt -93.61 73.39 4.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.052 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.52 -30.05 37.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.429 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.76 156.97 31.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.628 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.527 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 24.6 m-20 -114.68 -33.72 5.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.986 176.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -79.07 -14.24 59.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.856 -176.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 37' ' ' VAL . 2.5 mmp_? -77.19 153.56 33.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.983 0.421 . . . . 0.0 110.96 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -102.63 150.87 23.0 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.333 175.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.68 HD11 HD13 ' A' ' 40' ' ' LEU . 75.7 mt -59.21 -38.97 81.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.751 -176.066 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.42 ' HB3' ' HG2' ' A' ' 33' ' ' ARG . 10.6 p30 -62.6 -28.13 69.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.53 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -67.37 -26.87 66.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.935 0.397 . . . . 0.0 110.81 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -83.58 -6.36 59.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.832 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.57 21.91 52.33 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.512 -176.551 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.1 mt -79.36 137.44 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.347 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.4 t -138.46 -171.01 2.95 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.329 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.413 ' HG3' ' HD2' ' A' ' 79' ' ' PHE . 7.9 tp10 -54.58 128.96 34.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 122.986 0.514 . . . . 0.0 111.598 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.537 ' HA ' ' O ' ' A' ' 17' ' ' HIS . 33.5 m-85 57.41 59.59 3.25 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.202 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.1 p -94.54 131.31 40.41 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.588 170.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.639 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 51.4 mt-10 -84.63 117.6 23.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.168 0.509 . . . . 0.0 110.544 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.4 mm -104.12 117.27 49.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.658 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.508 HG22 ' HD2' ' A' ' 21' ' ' LYS . 33.3 t -89.34 119.75 36.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 61.8 t -102.34 106.89 20.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.104 0.478 . . . . 0.0 110.645 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.494 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 67.8 m-85 -90.88 130.53 36.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.599 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.8 mt -97.19 143.51 27.92 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.878 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt . . . . . 0 C--N 1.319 -0.741 0 CA-C-O 121.725 0.774 . . . . 0.0 109.917 179.388 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 121.254 0.55 . . . . 0.0 111.931 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.513 HG23 ' HG2' ' A' ' 33' ' ' ARG . 9.2 pt -110.5 154.28 12.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.16 170.345 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.49 ' H ' ' CB ' ' A' ' 78' ' ' GLU . 0.3 OUTLIER -98.02 84.92 3.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.161 0.505 . . . . 0.0 109.791 -176.818 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.6 m -83.33 138.43 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.84 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.0 m -94.81 110.13 22.03 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.999 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.5 113.94 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.015 0.436 . . . . 0.0 110.046 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.547 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 49.8 mtpt -102.38 99.25 9.3 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.042 -176.145 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.554 ' HE2' HG21 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -99.58 149.98 36.38 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.098 178.826 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.526 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 34.5 Cg_exo -59.24 -24.95 76.41 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.321 2.014 . . . . 0.0 111.454 173.21 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.1 p -80.51 -68.92 0.64 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.332 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -137.4 175.73 9.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.139 0.495 . . . . 0.0 111.061 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -122.11 131.31 53.9 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.604 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -147.75 151.1 35.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.0 110.914 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.51 135.92 44.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.125 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -123.87 144.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.627 0.251 . . . . 0.0 110.712 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -91.46 106.4 18.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.087 0.47 . . . . 0.0 110.32 172.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.55 HG12 ' HE2' ' A' ' 43' ' ' LYS . 22.9 m -123.11 149.01 26.77 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 27.7 t70 -73.71 164.1 27.09 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.276 -0.569 . . . . 0.0 110.494 -178.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.513 ' HG2' HG23 ' A' ' 16' ' ' ILE . 40.1 mtt-85 -74.76 -23.97 58.62 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.781 -176.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.7 p -97.64 13.67 29.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.932 0.396 . . . . 0.0 110.904 177.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.68 143.86 53.31 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.545 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.7 p -88.74 158.97 18.0 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.528 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.613 HG13 HD12 ' A' ' 57' ' ' LEU . 93.2 t -59.53 -37.02 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.475 177.082 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.538 ' OG ' ' HB3' ' A' ' 67' ' ' ASP . 46.3 m -62.75 -44.27 96.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.479 177.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.4 m -79.2 -23.27 43.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.842 0.353 . . . . 0.0 110.287 -175.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.911 HD23 HD13 ' A' ' 57' ' ' LEU . 16.5 tp -64.31 -48.49 75.42 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 173.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.606 ' HG3' HD11 ' A' ' 57' ' ' LEU . 51.7 mtmt -67.13 -32.91 74.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.578 177.59 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.465 ' O ' HG13 ' A' ' 46' ' ' ILE . 22.9 t70 -63.49 -45.42 90.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.971 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.55 ' HE2' HG12 ' A' ' 31' ' ' VAL . 2.7 tptt -55.41 -48.94 73.61 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.528 176.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.554 HG21 ' HE2' ' A' ' 22' ' ' PHE . 75.9 mt -62.15 -42.11 93.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.175 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -62.68 -30.8 71.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.767 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 42' ' ' ASP . 85.2 mt -68.67 -33.41 59.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.905 0.384 . . . . 0.0 110.786 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.5 t -85.21 -51.69 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.153 0.502 . . . . 0.0 110.825 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -83.85 -175.15 5.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.676 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -110.46 -18.8 13.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.188 0.518 . . . . 0.0 110.203 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.1 m -67.33 125.64 91.38 Favored Pre-proline 0 N--CA 1.449 -0.496 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.86 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.777 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 38.6 Cg_exo -58.31 147.73 83.17 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.233 2.622 . . . . 0.0 112.018 173.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.454 HD11 ' HA ' ' A' ' 42' ' ' ASP . 70.2 mt -59.64 -37.61 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.21 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.83 -21.28 66.36 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.777 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 3.8 mpt_? -97.22 -15.84 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -115.31 137.72 51.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.851 0.358 . . . . 0.0 111.321 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -121.46 146.62 46.73 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.911 HD13 HD23 ' A' ' 40' ' ' LEU . 21.9 mt -91.33 133.52 35.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.683 -175.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.615 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 29.0 m-85 -125.27 127.53 46.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.97 0.414 . . . . 0.0 110.579 176.544 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -130.63 114.18 15.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.493 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.5 m 59.81 32.4 21.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.598 175.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.36 -2.59 83.38 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.9 mt -106.11 121.77 58.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.615 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 19.5 pt-20 -81.74 132.95 35.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.447 0.641 . . . . 0.0 110.033 177.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 24.6 mt -86.97 85.15 7.24 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.139 -178.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.28 -35.82 18.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.671 -173.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -78.92 111.4 15.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.22 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.538 ' HB3' ' OG ' ' A' ' 38' ' ' SER . 1.6 m-20 -63.85 -40.3 96.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.364 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -70.75 -6.94 41.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.401 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -79.34 156.03 28.19 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.18 0.514 . . . . 0.0 111.643 -176.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.583 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 12.8 m120 -103.43 158.09 16.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.375 177.582 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.72 HD21 HD22 ' A' ' 40' ' ' LEU . 58.7 mt -66.82 -32.96 74.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.895 0.379 . . . . 0.0 111.387 -178.468 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -66.44 -27.65 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.628 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.583 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 8.7 mm-40 -65.06 -34.75 79.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.958 0.409 . . . . 0.0 110.553 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -86.69 -22.25 26.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.714 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.61 40.9 5.22 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.254 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.615 HD12 HD22 ' A' ' 71' ' ' LEU . 54.4 mt -88.09 130.98 36.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.721 0.296 . . . . 0.0 110.716 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.4 t -121.34 -172.94 2.51 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.39 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.49 ' CB ' ' H ' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -81.77 27.96 0.43 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.043 0.449 . . . . 0.0 112.141 -174.799 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -141.25 25.29 2.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.525 0.679 . . . . 0.0 109.332 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.1 p -92.22 140.94 29.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.185 -172.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -101.74 98.44 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.058 172.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.6 mm -84.48 99.85 7.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.464 0.649 . . . . 0.0 109.573 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.547 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 39.0 t -85.64 115.46 27.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.91 -176.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.481 HG11 ' CZ ' ' A' ' 22' ' ' PHE . 91.4 t -90.65 113.41 26.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.819 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.41 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 24.5 m-85 -102.83 129.16 49.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.665 176.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.4 mt -99.62 122.87 43.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.932 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 C--N 1.322 -0.627 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.909 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.8 pt -99.74 147.24 7.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.067 -175.158 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.671 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 72.0 m80 -93.46 99.29 11.8 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.807 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -89.06 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.019 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 m -94.32 109.88 21.68 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.943 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.21 119.61 47.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.918 0.39 . . . . 0.0 110.541 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.683 ' HE2' HG22 ' A' ' 83' ' ' VAL . 38.7 mtmt -107.73 113.02 25.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.391 -178.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.428 ' HE2' ' HG1' ' A' ' 50' ' ' THR . 10.6 m-85 -96.1 160.42 29.97 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 171.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.51 -1.35 3.82 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 122.427 2.085 . . . . 0.0 112.117 177.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.4 m -108.81 -58.45 2.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.81 173.95 12.32 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.806 0.336 . . . . 0.0 111.261 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -118.74 141.11 48.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.44 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -150.64 173.77 13.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.274 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 m -117.11 142.43 47.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.613 0.244 . . . . 0.0 110.547 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.0 t -125.98 141.25 46.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.16 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.671 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 48.9 mt-10 -90.51 111.55 22.87 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.084 0.468 . . . . 0.0 110.28 175.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.492 HG12 ' HG3' ' A' ' 43' ' ' LYS . 35.7 m -130.59 149.35 33.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.86 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -67.2 152.69 45.28 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.328 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -70.94 -32.23 69.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.415 0.626 . . . . 0.0 109.552 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.5 p -91.67 11.16 25.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.289 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.557 ' HG3' ' HB3' ' A' ' 39' ' ' SER . 4.9 tp10 -66.9 139.99 57.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.914 176.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.7 p -83.47 156.71 22.74 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.768 0.318 . . . . 0.0 111.078 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.1 t -56.99 -35.33 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.175 0.512 . . . . 0.0 110.878 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.9 p -71.25 -29.27 64.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.882 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.557 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 8.5 t -80.35 -28.48 38.04 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.71 HD23 HD13 ' A' ' 57' ' ' LEU . 21.8 tp -61.42 -47.46 85.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.5 174.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HB3' HG23 ' A' ' 52' ' ' ILE . 90.5 mttt -58.11 -40.82 82.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.357 175.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' HG13 ' A' ' 46' ' ' ILE . 17.7 t70 -58.14 -46.66 85.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.6 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 39' ' ' SER . 72.6 mmtt -57.07 -51.1 70.61 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.608 177.836 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.4 ' HB ' ' HE1' ' A' ' 55' ' ' MET . 61.0 mt -61.96 -33.88 60.3 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.122 -177.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -69.87 -29.53 66.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.762 0.315 . . . . 0.0 111.071 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 42' ' ' ASP . 74.2 mt -76.89 -37.18 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.189 0.518 . . . . 0.0 110.464 177.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.3 t -79.6 -53.76 12.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.182 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.14 171.64 9.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.771 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -98.99 4.39 47.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.217 0.532 . . . . 0.0 110.29 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.428 ' HG1' ' HE2' ' A' ' 22' ' ' PHE . 7.9 m -78.51 124.43 85.41 Favored Pre-proline 0 N--CA 1.445 -0.684 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.185 -177.042 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.78 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 31.9 Cg_exo -60.64 139.2 84.57 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.643 2.229 . . . . 0.0 111.112 171.115 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.446 HG23 ' HB3' ' A' ' 41' ' ' LYS . 61.4 mt -57.49 -35.51 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.533 -177.166 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -71.11 -10.19 59.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.143 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.78 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 2.9 mpt_? -96.76 -24.71 15.81 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -176.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.4 ' HE1' ' HB ' ' A' ' 44' ' ' ILE . 23.4 ptt? -110.93 138.11 47.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.33 0.586 . . . . 0.0 112.408 -170.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.415 ' HG2' ' HE3' ' A' ' 87' ' ' LYS . 0.8 OUTLIER -111.18 140.37 45.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.721 177.311 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.71 HD13 HD23 ' A' ' 40' ' ' LEU . 58.4 mt -101.85 129.89 48.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.049 -175.233 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.405 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 93.1 m-85 -126.82 121.64 32.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.002 0.43 . . . . 0.0 111.043 177.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.434 ' O ' HG12 ' A' ' 62' ' ' ILE . 39.9 t80 -104.32 104.38 14.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.084 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.7 m 62.36 8.95 3.03 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.878 0.37 . . . . 0.0 111.71 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.16 -16.89 11.77 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.79 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 59' ' ' TYR . 12.9 mm -77.9 115.14 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.86 117.16 13.11 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.73 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 41.0 mt -79.26 82.32 5.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.535 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.68 6.69 34.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.402 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -107.71 91.19 3.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.28 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -61.36 -28.39 69.19 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -176.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -86.17 3.0 44.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.913 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -95.94 151.72 19.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.133 0.492 . . . . 0.0 111.254 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.543 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 3.9 m-20 -88.13 152.25 22.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.97 174.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.561 HD11 HD13 ' A' ' 40' ' ' LEU . 67.8 mt -58.04 -37.28 74.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.65 0.738 . . . . 0.0 109.523 176.483 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -56.08 -29.51 60.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.362 176.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.543 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 9.8 mm-40 -66.27 -36.52 83.2 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.54 -178.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.466 ' HB2' HG13 ' A' ' 76' ' ' ILE . 98.4 m-85 -80.27 -11.59 59.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.39 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.47 24.01 37.89 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.855 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.466 HG13 ' HB2' ' A' ' 74' ' ' TYR . 58.4 mt -69.83 118.21 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.027 0.442 . . . . 0.0 110.96 -177.504 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.9 t -109.74 -168.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.934 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 40.7 tt0 -75.95 146.34 39.7 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.299 -0.251 . . . . 0.0 110.36 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 64.21 23.31 13.09 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.342 -177.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.7 p -68.44 142.5 55.35 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.28 171.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -94.36 102.99 14.99 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.335 0.588 . . . . 0.0 110.613 -175.434 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.7 mm -93.85 107.41 19.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.649 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.683 HG22 ' HE2' ' A' ' 21' ' ' LYS . 12.9 t -89.3 120.16 37.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.216 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.43 112.36 37.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.012 0.434 . . . . 0.0 110.697 -178.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -105.36 137.5 43.07 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.549 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.5 mt -97.84 121.74 40.12 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.415 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 72.7 mmtt . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 121.603 0.716 . . . . 0.0 109.113 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 15' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.2 pt -99.41 149.47 5.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.538 -175.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.534 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 66.5 m80 -96.69 97.28 9.22 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.859 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.0 m -86.47 144.35 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.733 -177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 24.5 m -99.05 109.39 22.13 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.922 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -96.07 123.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.809 0.337 . . . . 0.0 110.658 -176.394 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -112.23 115.43 28.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.776 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.42 ' C ' ' H ' ' A' ' 24' ' ' SER . 15.2 m-85 -96.94 163.85 19.2 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 172.679 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.95 34.0 0.18 Allowed 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 122.993 2.462 . . . . 0.0 113.464 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 22' ' ' PHE . 75.7 m -162.37 -31.12 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.509 0.324 . . . . 0.0 111.524 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -149.2 172.21 15.2 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.136 0.493 . . . . 0.0 111.933 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -136.9 131.68 33.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.152 178.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -147.38 160.58 42.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.481 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -103.94 141.88 35.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.722 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -127.27 142.55 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.534 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 56.4 mt-10 -92.38 112.9 25.01 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.271 0.558 . . . . 0.0 110.683 176.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.568 HG11 HD12 ' A' ' 40' ' ' LEU . 20.9 m -128.98 156.96 41.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 CA-C-N 115.103 -0.953 . . . . 0.0 108.963 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -71.49 157.86 37.27 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 120.683 0.278 . . . . 0.0 110.334 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -74.32 -21.75 59.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.39 0.615 . . . . 0.0 110.282 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.4 p -100.29 14.33 31.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.13 176.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.58 138.55 57.68 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.133 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.2 p -82.13 150.5 27.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.593 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 87.5 t -57.72 -34.61 48.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.111 0.481 . . . . 0.0 110.649 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.534 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 25.8 t -63.14 -42.39 99.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.907 178.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 62.9 m -79.55 -21.55 45.0 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.688 HD13 HD11 ' A' ' 71' ' ' LEU . 20.8 tp -62.43 -51.83 65.96 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.547 ' HB3' HG23 ' A' ' 52' ' ' ILE . 96.4 mttt -63.49 -34.85 78.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.325 177.027 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.419 ' O ' HG13 ' A' ' 46' ' ' ILE . 25.5 t70 -60.45 -49.98 75.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.866 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.505 ' HA ' HD12 ' A' ' 46' ' ' ILE . 58.4 mttp -63.01 -37.94 89.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.181 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.9 mt -64.34 -38.05 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.459 176.782 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -62.87 -30.84 71.82 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 111.138 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 43' ' ' LYS . 79.2 mt -68.68 -31.88 52.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.232 0.539 . . . . 0.0 110.35 178.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.3 t -78.79 -57.61 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.384 0.611 . . . . 0.0 110.317 173.45 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' C ' ' H ' ' A' ' 50' ' ' THR . 2.8 tp10 -113.18 129.78 56.41 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.876 -172.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -70.47 22.24 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.4 ' H ' ' C ' ' A' ' 48' ' ' GLU . 23.9 m -79.87 126.42 80.07 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-O 120.851 0.357 . . . . 0.0 110.254 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.557 ' HG2' ' HD2' ' A' ' 54' ' ' ARG . 52.6 Cg_exo -51.76 135.43 49.57 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 123.171 2.58 . . . . 0.0 112.611 175.206 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.547 HG23 ' HB3' ' A' ' 41' ' ' LYS . 95.7 mt -63.83 -36.57 77.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.864 -174.459 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -71.81 -16.67 62.18 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.557 ' HD2' ' HG2' ' A' ' 51' ' ' PRO . 80.3 mtt180 -95.92 -35.08 11.58 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -174.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -91.23 119.49 31.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.332 0.587 . . . . 0.0 110.711 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -104.3 137.59 41.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.867 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.418 HD13 HD23 ' A' ' 40' ' ' LEU . 59.3 mt -97.55 130.58 44.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.679 -176.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.413 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 76.0 m-85 -120.4 129.8 54.08 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.704 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 80' ' ' SER . 47.3 t80 -122.32 118.2 27.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.306 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.8 m 66.65 -80.91 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 O-C-N 123.78 0.675 . . . . 0.0 110.608 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.32 15.3 1.29 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.9 mt -115.65 128.83 72.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.949 -0.626 . . . . 0.0 110.455 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -80.4 126.56 31.34 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.01 67.77 8.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.31 0.576 . . . . 0.0 109.837 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.54 -35.7 45.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.145 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.552 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 10.2 m-20 -79.66 103.69 9.74 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.593 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 22.2 m-20 -75.97 -23.28 55.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.087 -174.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -84.06 -5.97 59.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.656 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -92.71 161.67 14.46 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.151 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -94.52 152.84 18.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.284 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.688 HD11 HD13 ' A' ' 40' ' ' LEU . 55.4 mt -59.32 -39.86 84.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -175.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -62.54 -28.42 69.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.853 -0.158 . . . . 0.0 111.422 -176.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.35 -34.22 77.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.945 0.402 . . . . 0.0 110.939 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.552 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 91.7 m-85 -82.98 -4.97 58.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.378 179.038 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.55 12.7 62.39 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.246 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.45 ' HB ' ' HB3' ' A' ' 71' ' ' LEU . 49.7 mt -74.41 134.36 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.051 0.453 . . . . 0.0 110.705 -177.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -139.57 -164.95 1.78 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.829 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.59 140.3 53.77 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.6 t80 72.87 12.27 5.21 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.303 0.641 . . . . 0.0 110.626 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.518 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 58.5 m -73.67 129.83 38.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.939 173.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.418 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 35.4 tt0 -86.28 122.86 30.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.537 -176.528 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.4 115.79 50.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.773 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.3 t -94.24 126.29 46.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.015 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.8 t -99.64 105.23 17.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.184 0.516 . . . . 0.0 110.959 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.413 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 35.3 m-85 -98.43 122.26 41.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.238 176.558 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.91 121.38 29.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.056 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt . . . . . 0 C--N 1.323 -0.56 0 CA-C-O 121.264 0.554 . . . . 0.0 110.534 -179.46 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt . . . . . 0 N--CA 1.445 -0.676 0 CA-C-O 121.137 0.494 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.567 ' HB ' ' HA ' ' A' ' 78' ' ' GLU . 17.3 pt -121.05 151.68 24.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.892 -178.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.641 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 41.4 m80 -98.8 111.89 24.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.08 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -101.97 137.31 30.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 53.5 m -90.61 110.61 21.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.261 179.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.1 t -89.97 111.38 23.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.056 0.455 . . . . 0.0 110.407 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.764 ' HE2' ' HB3' ' A' ' 81' ' ' GLU . 67.7 mttm -92.56 95.62 9.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.199 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.49 ' HE2' HG21 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -103.29 142.88 25.49 Favored Pre-proline 0 C--N 1.317 -0.826 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.375 179.25 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -59.48 -19.85 53.85 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.398 2.065 . . . . 0.0 110.87 171.134 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.0 t -75.14 -69.83 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.636 174.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -152.83 174.63 13.82 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.422 175.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -112.3 127.19 55.92 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.012 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -147.51 159.1 44.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.499 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -105.76 140.31 38.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.052 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.11 141.53 43.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.248 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.641 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 51.5 mt-10 -89.58 117.15 28.26 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.214 0.531 . . . . 0.0 110.318 174.277 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.59 HG11 HD12 ' A' ' 40' ' ' LEU . 11.5 m -132.91 156.19 42.01 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.24 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.211 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -76.24 160.26 29.84 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -73.42 -20.17 60.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.063 0.458 . . . . 0.0 110.259 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.4 p -100.81 14.77 30.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.355 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 17.1 tp10 -61.74 133.64 55.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.768 177.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -72.37 150.0 43.85 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.535 -179.304 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.596 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 92.7 t -57.51 -43.57 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.125 0.488 . . . . 0.0 110.716 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -69.42 -26.68 64.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.507 178.875 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 m -79.31 -29.6 42.46 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.713 HD22 HD21 ' A' ' 71' ' ' LEU . 18.1 tp -64.27 -49.98 69.74 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.185 173.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.542 ' HB3' HG23 ' A' ' 52' ' ' ILE . 98.5 mttt -62.14 -37.17 84.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.683 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.484 ' O ' HG13 ' A' ' 46' ' ' ILE . 26.4 t70 -60.37 -48.33 82.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.377 178.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.5 ' CD ' HG12 ' A' ' 31' ' ' VAL . 49.4 mttp -59.68 -44.82 93.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.408 177.701 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.49 HG21 ' HE2' ' A' ' 22' ' ' PHE . 74.0 mt -63.26 -37.22 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.525 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -64.87 -29.58 70.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 111.059 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 42' ' ' ASP . 89.3 mt -74.93 -36.51 39.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.065 0.459 . . . . 0.0 110.918 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.8 t -80.07 -53.12 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.42 -177.81 6.29 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.968 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -116.3 20.91 13.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.406 0.622 . . . . 0.0 109.93 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.8 m -99.07 123.41 49.11 Favored Pre-proline 0 N--CA 1.444 -0.739 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.778 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.754 ' HG2' HH11 ' A' ' 54' ' ' ARG . 54.1 Cg_exo -52.67 143.79 45.31 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.577 2.851 . . . . 0.0 112.98 175.27 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 41' ' ' LYS . 64.6 mt -61.08 -39.67 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.482 -177.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 3.0 mmmp? -73.15 -9.86 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.978 -176.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.754 HH11 ' HG2' ' A' ' 51' ' ' PRO . 43.4 mtt180 -99.08 -34.99 10.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.793 0.33 . . . . 0.0 111.66 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.404 ' SD ' ' HZ ' ' A' ' 22' ' ' PHE . 24.3 ptt? -94.1 125.68 38.88 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.21 0.529 . . . . 0.0 111.777 -177.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -107.78 134.76 50.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.616 176.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.433 HD13 HD23 ' A' ' 40' ' ' LEU . 54.3 mt -96.76 129.18 44.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.04 -174.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 35.2 m-85 -117.2 122.33 43.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.151 0.501 . . . . 0.0 110.979 176.083 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.407 ' HE1' ' HB2' ' A' ' 80' ' ' SER . 39.3 t80 -104.7 105.52 15.64 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.84 176.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.2 m 61.59 22.22 12.74 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.398 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.6 -19.17 39.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.229 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 57.4 mt -85.8 123.38 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.496 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -83.03 132.49 35.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.443 0.64 . . . . 0.0 111.089 -176.617 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.6 mt -87.33 76.93 9.04 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.33 -14.17 27.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.029 -171.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -101.69 87.49 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.26 0.552 . . . . 0.0 110.27 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.596 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 0.7 OUTLIER -55.56 -26.14 41.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.882 -176.867 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -83.46 4.16 28.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -101.97 171.63 7.4 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.499 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 85.8 m-20 -107.66 164.34 12.32 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.365 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.713 HD21 HD22 ' A' ' 40' ' ' LEU . 63.9 mt -62.22 -34.11 75.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.671 -177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -59.4 -27.73 66.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.319 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -67.54 -27.1 66.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.703 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -97.04 -7.56 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.72 34.21 25.51 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.096 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.611 HD12 HD22 ' A' ' 71' ' ' LEU . 43.5 mt -86.25 132.29 32.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.744 0.307 . . . . 0.0 110.485 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.7 t -130.19 -169.06 2.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.193 -177.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.567 ' HA ' ' HB ' ' A' ' 16' ' ' ILE . 42.1 tt0 -68.98 140.94 55.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.707 0.289 . . . . 0.0 111.071 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.2 t80 73.11 20.3 3.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.847 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.407 ' HB2' ' HE1' ' A' ' 59' ' ' TYR . 63.1 p -76.24 134.62 39.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.352 176.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.764 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 51.4 mt-10 -91.4 122.41 33.98 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.581 179.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.9 mm -106.29 119.59 55.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.806 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.638 HG22 ' HD2' ' A' ' 21' ' ' LYS . 46.1 t -93.55 122.45 45.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.6 t -100.55 111.24 29.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.064 0.459 . . . . 0.0 111.367 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.51 128.43 43.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.4 173.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.1 mt -90.37 127.46 36.19 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.061 0.457 . . . . 0.0 110.211 -178.114 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.473 ' HA ' ' HD3' ' A' ' 87' ' ' LYS . 69.9 mmtt . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.253 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 121.163 0.506 . . . . 0.0 110.405 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.429 HG21 ' O ' ' A' ' 77' ' ' THR . 23.8 pt -98.49 156.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.037 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -89.52 97.55 11.26 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.165 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.9 m -87.41 145.22 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.073 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.595 ' HB ' ' HG2' ' A' ' 81' ' ' GLU . 60.0 m -104.87 113.28 26.78 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.521 -175.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.4 t -92.81 116.8 34.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.078 0.466 . . . . 0.0 110.938 -177.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -96.29 103.85 15.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.688 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -97.54 157.71 34.3 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -70.7 45.16 0.54 Allowed 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 123.056 2.504 . . . . 0.0 111.864 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.5 t -165.79 -67.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.804 -177.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -132.53 175.18 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.122 0.487 . . . . 0.0 110.791 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -125.89 128.78 48.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.954 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -138.51 156.41 47.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.845 0.355 . . . . 0.0 110.79 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.21 141.0 37.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.59 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.481 HG11 ' HB3' ' A' ' 43' ' ' LYS . 26.0 t -126.96 150.0 32.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.611 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -92.44 112.01 23.8 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.526 175.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.627 HG11 HD12 ' A' ' 40' ' ' LEU . 31.0 m -136.47 147.66 27.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.733 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.501 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 16.5 t70 -80.56 161.67 24.66 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.283 -178.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 33' ' ' ARG . 61.9 mtt180 -66.58 -25.47 66.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.018 0.437 . . . . 0.0 110.475 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.637 ' HA ' ' OD1' ' A' ' 70' ' ' ASN . 76.2 p -102.55 16.42 26.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.073 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 7.3 tp10 -74.38 152.61 39.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.143 175.45 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 p -90.81 160.84 15.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.646 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.43 HG12 ' HE3' ' A' ' 41' ' ' LYS . 59.3 t -66.26 -36.39 77.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.072 0.463 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -58.55 -39.81 81.28 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.148 177.58 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.621 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 22.7 m -79.81 -27.22 40.32 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.737 -176.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.627 HD12 HG11 ' A' ' 31' ' ' VAL . 23.9 tp -62.36 -49.25 76.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.931 176.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HE3' HG12 ' A' ' 37' ' ' VAL . 92.2 mttt -59.41 -39.59 83.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.598 177.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' HG13 ' A' ' 46' ' ' ILE . 20.3 t70 -57.8 -48.6 79.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.156 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' A' ' 39' ' ' SER . 75.0 mmtt -56.1 -48.99 75.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.313 0.577 . . . . 0.0 110.519 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.3 mt -64.45 -38.5 82.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.182 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -64.75 -30.1 71.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 111.516 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 42' ' ' ASP . 84.1 mt -70.79 -30.99 44.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.143 0.497 . . . . 0.0 110.346 178.807 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 t -78.02 -56.46 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.354 0.597 . . . . 0.0 110.756 173.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -114.45 133.43 55.75 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.934 -171.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -75.4 9.22 2.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -171.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.454 HG21 HD22 ' A' ' 86' ' ' LEU . 14.5 m -65.42 123.66 84.99 Favored Pre-proline 0 N--CA 1.446 -0.636 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 175.301 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.456 ' HG2' ' HD2' ' A' ' 54' ' ' ARG . 52.2 Cg_exo -53.37 136.62 63.55 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.858 2.372 . . . . 0.0 112.128 175.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 41' ' ' LYS . 64.4 mt -60.17 -35.53 62.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.736 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.89 -29.64 68.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.776 0.322 . . . . 0.0 111.509 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' HD2' ' HG2' ' A' ' 51' ' ' PRO . 43.6 mtt180 -80.98 -40.35 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.451 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.5 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 26.3 ptt? -90.91 117.43 29.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.341 0.591 . . . . 0.0 111.062 -176.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -101.45 132.92 46.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.958 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.6 mt -91.38 128.23 37.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.944 -175.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.506 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 74.9 m-85 -120.94 127.71 52.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.371 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CE1' ' HB3' ' A' ' 80' ' ' SER . 62.0 t80 -116.88 112.75 21.5 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.345 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.8 m 60.09 21.83 11.05 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.886 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.06 -12.96 55.92 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.237 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.4 mt -91.35 125.77 44.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 12.6 pt-20 -81.52 134.38 35.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.126 0.488 . . . . 0.0 109.753 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.2 mt -82.98 70.29 9.95 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.351 0.596 . . . . 0.0 109.844 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.51 -35.53 68.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.357 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 61.5 m-20 -80.92 100.21 8.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.329 0.585 . . . . 0.0 110.371 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -70.02 -31.03 68.48 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.531 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -81.83 -9.21 59.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.738 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -80.93 168.85 18.26 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.401 0.62 . . . . 0.0 112.1 -175.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.637 ' OD1' ' HA ' ' A' ' 34' ' ' THR . 2.0 t-20 -94.25 158.42 15.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.208 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 80.6 mt -72.03 -44.76 62.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.743 -177.638 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.48 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 9.2 p30 -60.35 -27.77 67.64 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.772 0.32 . . . . 0.0 110.971 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -58.34 -32.91 68.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.54 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.436 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 95.3 m-85 -85.06 -9.15 58.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 111.156 -178.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.6 -0.86 30.66 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.218 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 72' ' ' ASN . 72.0 mt -67.42 130.79 33.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 177.392 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.429 ' O ' HG21 ' A' ' 16' ' ' ILE . 3.1 t -147.41 -36.65 0.22 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.817 -174.463 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -178.14 135.91 0.16 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.385 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 58.43 20.2 7.2 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.718 0.637 . . . . 0.0 111.4 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.511 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 2.8 m -65.13 131.09 45.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.946 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.595 ' HG2' ' HB ' ' A' ' 19' ' ' THR . 25.3 mt-10 -95.25 125.34 39.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.34 0.59 . . . . 0.0 110.79 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.0 mm -107.07 114.57 46.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.687 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.3 t -88.96 116.9 31.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 56.0 t -96.25 105.83 17.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.229 0.538 . . . . 0.0 110.973 -176.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.506 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 28.2 m-85 -94.74 121.66 36.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.931 176.025 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.454 HD22 HG21 ' A' ' 50' ' ' THR . 28.5 mt -83.63 119.14 24.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.795 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt . . . . . 0 C--N 1.32 -0.7 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.964 -175.891 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm . . . . . 0 N--CA 1.445 -0.703 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.5 pt -101.73 142.32 16.49 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-O 121.31 0.576 . . . . 0.0 110.11 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.658 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 69.8 m80 -97.44 98.74 10.2 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.226 -177.802 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 m -92.06 142.78 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.614 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.1 m -100.1 111.67 23.96 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.146 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.8 t -89.06 115.41 28.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.097 0.475 . . . . 0.0 110.752 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -90.02 102.55 15.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.841 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.593 ' CD1' ' HD2' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -114.15 147.79 38.63 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.685 178.709 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.593 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 40.3 Cg_endo -68.55 -13.88 38.35 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.3 2.0 . . . . 0.0 112.039 175.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 p -96.39 -30.85 13.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.429 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.18 174.82 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.423 -176.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -129.1 129.55 45.35 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.426 ' HZ ' HG23 ' A' ' 44' ' ' ILE . 39.6 p90 -149.39 156.34 41.89 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.314 0.578 . . . . 0.0 111.383 -177.362 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 m -104.65 136.96 43.22 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.263 177.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.61 135.79 58.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.658 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 47.1 mt-10 -90.31 108.64 19.89 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.409 0.623 . . . . 0.0 109.968 174.245 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.472 HG11 HD12 ' A' ' 40' ' ' LEU . 16.6 m -127.21 155.9 38.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.768 177.682 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 15.4 t0 -66.8 147.04 53.77 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.733 175.378 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -75.95 -25.1 55.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.098 0.475 . . . . 0.0 110.7 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.4 14.29 18.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.441 0.639 . . . . 0.0 110.635 175.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 22.6 tt0 -72.49 147.06 46.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.921 177.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 16.4 p -88.89 160.88 16.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.6 0.238 . . . . 0.0 111.122 -178.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.427 HG12 ' HE3' ' A' ' 41' ' ' LYS . 61.7 t -58.96 -34.36 52.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.059 0.457 . . . . 0.0 110.694 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.549 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 25.3 p -54.72 -47.77 73.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.443 176.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 23.0 m -75.78 -28.94 58.59 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.418 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 71' ' ' LEU . 13.1 tp -62.01 -46.26 89.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.905 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HE3' HG12 ' A' ' 37' ' ' VAL . 95.9 mttt -59.45 -41.76 90.43 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.393 176.276 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.418 ' O ' HG13 ' A' ' 46' ' ' ILE . 30.6 t70 -59.43 -45.89 90.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.785 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 39' ' ' SER . 35.0 mmtp -56.37 -51.5 68.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.866 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.426 HG23 ' HZ ' ' A' ' 27' ' ' PHE . 66.0 mt -61.15 -41.5 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.184 -176.589 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -64.71 -29.15 70.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.568 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 42' ' ' ASP . 91.3 mt -73.57 -35.29 44.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.004 0.43 . . . . 0.0 110.446 178.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.7 t -80.39 -53.64 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.979 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.09 162.57 14.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.014 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -84.23 -22.8 30.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.976 0.417 . . . . 0.0 110.933 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.3 m -61.85 131.5 93.08 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.661 -177.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.764 ' HG2' ' HD3' ' A' ' 54' ' ' ARG . 56.6 Cg_endo -73.71 153.14 48.49 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.749 2.299 . . . . 0.0 112.405 178.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.8 mt -66.58 -24.07 32.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.524 0.678 . . . . 0.0 110.308 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -68.28 -19.1 64.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.055 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.764 ' HD3' ' HG2' ' A' ' 51' ' ' PRO . 8.9 mpt_? -106.76 -26.97 11.06 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.912 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.509 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 27.0 ptt? -96.93 134.89 39.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.219 0.533 . . . . 0.0 112.164 -173.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -115.73 141.93 47.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.067 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.4 mt -99.5 128.38 45.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.902 0.382 . . . . 0.0 111.363 -174.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.412 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 94.6 m-85 -127.76 126.98 42.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.224 176.288 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -112.56 105.67 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.724 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.0 m 61.65 27.05 16.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.419 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.18 -25.31 28.72 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.835 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.5 mt -80.73 120.01 31.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.908 0.385 . . . . 0.0 110.349 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -75.21 140.32 43.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.071 176.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.1 mt -88.05 88.19 7.57 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.18 -28.39 38.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.781 -172.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.429 ' HB2' ' HD3' ' A' ' 69' ' ' ARG . 26.5 m-20 -100.56 108.13 19.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.323 0.582 . . . . 0.0 110.617 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.549 ' OD2' ' HB3' ' A' ' 38' ' ' SER . 22.0 t70 -66.47 -30.93 71.38 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.751 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -84.31 -8.36 59.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.385 -173.156 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.429 ' HD3' ' HB2' ' A' ' 66' ' ' ASP . 74.8 mtp180 -83.07 156.33 23.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.257 0.551 . . . . 0.0 110.816 -178.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.562 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 8.2 m120 -86.52 154.16 21.3 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.937 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 40' ' ' LEU . 41.5 mt -59.05 -35.19 72.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.729 0.776 . . . . 0.0 109.101 173.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -57.27 -34.19 68.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.726 175.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.538 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 23.4 mm-40 -65.28 -47.38 76.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.1 0.476 . . . . 0.0 110.081 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -71.81 -23.02 61.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.528 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.33 33.16 7.35 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.82 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.521 HD12 HD22 ' A' ' 71' ' ' LEU . 52.4 mt -77.94 119.69 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.087 0.47 . . . . 0.0 110.612 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.5 t -104.35 -174.37 2.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.227 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.503 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 39.1 tt0 -76.84 148.83 36.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.453 0.168 . . . . 0.0 110.695 -179.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.503 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 37.4 m-85 69.63 20.65 6.93 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.7 0.625 . . . . 0.0 111.066 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 p -74.19 132.95 42.67 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.95 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -92.36 106.24 18.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.165 0.507 . . . . 0.0 110.081 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.8 mm -89.94 115.94 30.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.518 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.4 t -92.79 117.29 35.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.692 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.509 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 45.0 t -101.27 110.02 27.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.515 -178.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.696 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 44.5 m-85 -94.91 121.14 36.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.22 178.168 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.47 HD21 ' CE1' ' A' ' 22' ' ' PHE . 26.6 mt -84.58 115.0 22.38 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.419 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.696 ' HE3' ' HB3' ' A' ' 85' ' ' PHE . 29.8 mmtp . . . . . 0 C--N 1.32 -0.715 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 3.4 mppt? . . . . . 0 CA--C 1.508 -0.66 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.642 HG21 ' O ' ' A' ' 77' ' ' THR . 27.9 pt -92.1 145.78 7.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.107 -170.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.632 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 43.5 m80 -88.93 95.39 10.29 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.737 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -85.03 141.24 14.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.281 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -95.3 109.7 21.8 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.82 118.5 34.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.955 0.407 . . . . 0.0 110.48 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.609 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 35.1 mmtp -96.07 96.95 9.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.659 -178.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -96.48 152.94 38.96 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.863 174.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -60.26 -23.06 73.01 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.462 2.108 . . . . 0.0 112.006 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.4 m -84.52 -61.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.05 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.04 173.75 13.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 110.669 -176.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.538 ' OE1' ' HE2' ' A' ' 21' ' ' LYS . 14.8 tt0 -111.62 133.18 54.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.055 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -146.09 166.24 26.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.656 0.265 . . . . 0.0 110.364 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.461 HG21 ' HB3' ' A' ' 17' ' ' HIS . 3.2 m -111.18 145.2 39.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.548 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 36.2 t -129.57 141.5 46.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.832 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.632 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 56.6 mt-10 -90.47 109.77 20.89 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.068 0.461 . . . . 0.0 110.016 176.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.422 HG12 ' HD3' ' A' ' 43' ' ' LYS . 25.2 m -128.69 147.09 33.18 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.83 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 37.2 t0 -71.9 147.76 46.74 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -72.38 -21.41 61.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.29 0.567 . . . . 0.0 110.533 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.33 14.2 23.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.822 175.193 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HG3' ' HB3' ' A' ' 39' ' ' SER . 5.6 tp10 -69.43 151.3 46.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.386 175.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.4 p -90.15 161.02 15.96 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.1 t -64.31 -33.93 65.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.191 0.519 . . . . 0.0 110.087 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.447 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 14.1 p -62.0 -38.93 90.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.812 176.143 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.544 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 17.9 t -79.69 -25.64 41.16 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -176.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.833 HD23 HD13 ' A' ' 57' ' ' LEU . 19.3 tp -66.77 -52.41 44.47 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.57 176.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.53 ' HB3' HG23 ' A' ' 52' ' ' ILE . 76.6 mttt -61.77 -36.49 81.2 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.444 176.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.457 ' O ' HG13 ' A' ' 46' ' ' ILE . 25.9 t70 -58.38 -47.67 83.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.743 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HD3' HG12 ' A' ' 31' ' ' VAL . 51.8 mttp -64.09 -46.21 85.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.507 179.284 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.2 mt -59.57 -36.05 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.637 176.238 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -66.36 -30.7 71.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.588 0.233 . . . . 0.0 111.218 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 42' ' ' ASP . 83.2 mt -73.34 -47.59 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.046 0.45 . . . . 0.0 110.284 178.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.4 -52.06 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.291 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -91.31 -169.5 2.34 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.77 -173.153 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -122.1 19.7 10.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.584 0.707 . . . . 0.0 110.346 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.516 HG21 ' HB3' ' A' ' 55' ' ' MET . 13.1 m -102.33 131.21 22.78 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.111 -177.627 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.411 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 35.3 Cg_exo -57.12 139.94 91.35 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 123.01 2.474 . . . . 0.0 111.582 171.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.53 HG23 ' HB3' ' A' ' 41' ' ' LYS . 33.5 mt -57.23 -36.56 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.347 -174.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -85.68 -10.2 56.06 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -175.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.411 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 3.6 mpt_? -92.86 -26.1 17.79 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.217 177.351 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.516 ' HB3' HG21 ' A' ' 50' ' ' THR . 23.5 ptt? -98.71 124.89 43.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.131 0.491 . . . . 0.0 110.79 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG3' ' HE3' ' A' ' 87' ' ' LYS . 15.2 mm100 -107.7 145.85 32.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.606 -178.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.833 HD13 HD23 ' A' ' 40' ' ' LEU . 55.0 mt -107.98 129.07 55.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -175.581 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.466 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 87.3 m-85 -128.84 137.62 51.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.053 0.454 . . . . 0.0 110.674 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -126.13 107.72 10.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.223 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.3 m 57.79 29.78 17.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.53 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.01 -14.38 62.71 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.451 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.5 mt -83.71 127.6 39.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -82.28 120.62 25.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.543 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.0 mt -83.81 81.62 8.68 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.0 -29.89 13.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.122 -174.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -73.01 107.37 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.815 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 38' ' ' SER . 17.8 t70 -62.33 -40.69 97.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.231 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -77.12 -12.66 59.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.24 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -80.16 156.24 27.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -173.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.527 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 12.1 m120 -97.25 151.77 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.461 177.03 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.638 HD11 HD13 ' A' ' 40' ' ' LEU . 78.6 mt -57.83 -47.21 83.31 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -174.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -59.63 -27.47 66.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.59 -176.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.527 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 30.2 mt-10 -65.22 -21.63 66.77 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.691 0.281 . . . . 0.0 111.196 -178.206 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -86.06 -13.38 47.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.976 0.417 . . . . 0.0 110.353 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.78 8.4 30.18 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.95 -176.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.6 mt -74.2 109.69 7.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.057 0.456 . . . . 0.0 110.508 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.642 ' O ' HG21 ' A' ' 16' ' ' ILE . 3.3 t -99.58 -59.8 1.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.711 -177.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.495 ' H ' HG23 ' A' ' 77' ' ' THR . 38.7 tt0 -176.81 154.02 1.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -176.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.456 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 52.3 m-85 57.98 22.24 8.62 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.217 0.532 . . . . 0.0 111.288 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.3 p -72.22 130.03 39.84 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.261 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -91.89 94.64 9.4 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.912 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.1 mm -80.96 115.81 24.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.608 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.609 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 12.3 t -87.11 120.71 36.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.948 -177.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.1 t -100.74 105.81 18.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.341 0.591 . . . . 0.0 110.556 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.466 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 60.9 m-85 -92.06 123.57 35.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.856 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.473 HD22 HG21 ' A' ' 50' ' ' THR . 44.3 mt -97.69 123.17 41.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.814 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.477 ' HE3' ' HG3' ' A' ' 56' ' ' GLN . 3.7 mptp? . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.847 -171.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.602 ' HA ' ' HG3' ' A' ' 78' ' ' GLU . 29.0 pt -83.51 143.87 11.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-O 121.692 0.758 . . . . 0.0 111.595 -169.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.464 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 52.4 m80 -88.13 98.24 11.44 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.789 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 m -92.81 131.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.07 0.462 . . . . 0.0 110.427 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.8 m -85.55 110.33 19.15 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.857 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -91.28 107.95 19.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.108 0.48 . . . . 0.0 109.899 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.529 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 50.4 mtpt -99.05 104.42 16.44 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.354 -177.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -95.31 156.48 37.63 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.607 173.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.92 -18.32 61.93 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.372 2.048 . . . . 0.0 111.435 173.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.1 m -104.17 -21.92 13.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.277 -175.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -168.44 172.67 8.13 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.623 0.249 . . . . 0.0 110.986 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -137.83 131.19 30.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.222 176.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -150.91 163.81 37.81 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -108.36 142.91 37.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.681 0.277 . . . . 0.0 110.481 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.4 t -123.67 137.55 56.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.464 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 53.6 mt-10 -91.46 102.98 15.66 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.56 0.695 . . . . 0.0 110.094 176.043 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.44 HG11 HD12 ' A' ' 40' ' ' LEU . 35.3 m -119.49 145.7 25.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.841 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.66 144.94 46.51 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HB3' HG23 ' A' ' 16' ' ' ILE . 17.8 ptp180 -69.76 -21.69 63.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.835 0.35 . . . . 0.0 110.75 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.588 ' HA ' ' OD1' ' A' ' 72' ' ' ASN . 45.5 p -96.37 14.9 22.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.624 177.204 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -70.6 149.86 46.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.185 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 p -88.21 152.1 22.21 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.566 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 87.6 t -56.04 -37.7 49.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 121.014 0.435 . . . . 0.0 110.605 177.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.564 ' HB3' ' HB3' ' A' ' 67' ' ' ASP . 12.3 p -59.21 -44.88 92.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.945 177.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 26.9 m -79.18 -24.68 43.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.172 -176.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.697 HD23 HD13 ' A' ' 57' ' ' LEU . 17.0 tp -62.05 -43.12 99.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.251 173.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.456 ' HD3' HG23 ' A' ' 52' ' ' ILE . 99.3 mttt -65.89 -34.2 77.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.595 176.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.459 ' O ' HG13 ' A' ' 46' ' ' ILE . 12.3 m-20 -61.78 -42.9 99.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.468 176.168 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 39' ' ' SER . 74.3 mmtt -56.04 -50.55 70.63 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.306 0.574 . . . . 0.0 110.143 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.71 -40.35 88.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.135 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -64.23 -30.77 71.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.312 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 42' ' ' ASP . 99.5 mt -74.75 -38.15 44.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.974 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.7 t -82.93 -54.7 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.225 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -98.72 153.46 18.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.114 0.483 . . . . 0.0 111.445 -176.019 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -87.13 78.41 8.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.508 0.671 . . . . 0.0 109.475 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.9 m -147.85 123.38 5.24 Favored Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.721 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.01 136.22 64.06 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.736 2.291 . . . . 0.0 111.848 173.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.456 HG23 ' HD3' ' A' ' 41' ' ' LYS . 70.1 mt -63.59 -26.77 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.108 -177.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -72.6 -10.75 60.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.681 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -100.52 -42.38 6.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.003 0.43 . . . . 0.0 111.244 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -89.56 131.59 35.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.32 0.581 . . . . 0.0 112.15 -172.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CB ' ' HE3' ' A' ' 87' ' ' LYS . 4.6 tp-100 -111.76 149.33 31.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.55 175.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.697 HD13 HD23 ' A' ' 40' ' ' LEU . 78.0 mt -102.24 134.69 45.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.737 0.303 . . . . 0.0 111.088 -176.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 41.3 m-85 -124.02 121.49 35.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.274 176.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -93.05 103.14 15.47 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 m 66.77 -74.22 0.07 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 123.89 0.744 . . . . 0.0 110.865 -176.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -146.64 10.63 1.46 Allowed Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 37.4 mt -105.25 122.89 59.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.199 -176.414 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -79.69 121.14 24.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.997 0.427 . . . . 0.0 110.339 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.8 mt -83.59 80.25 9.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.048 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.9 -17.68 34.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.989 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.446 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 2.9 m-20 -91.87 100.17 12.9 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.566 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 9.9 m-20 -71.5 -33.03 68.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.177 -175.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -80.49 15.97 1.49 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.202 -0.453 . . . . 0.0 112.013 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.468 ' O ' HG23 ' A' ' 37' ' ' VAL . 14.3 mmt180 -102.55 136.09 43.01 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.957 0.408 . . . . 0.0 111.502 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.537 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 5.3 m-20 -71.67 146.73 48.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.29 175.199 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.692 HD21 HD22 ' A' ' 40' ' ' LEU . 68.8 mt -61.58 -42.45 98.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.01 0.434 . . . . 0.0 110.428 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASN . . . . . 0.588 ' OD1' ' HA ' ' A' ' 34' ' ' THR . 4.2 p-10 -61.08 -29.01 69.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.423 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 54.5 mm-40 -66.44 -37.42 85.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.55 0.214 . . . . 0.0 111.155 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' TYR . . . . . 0.447 ' HB2' HG13 ' A' ' 76' ' ' ILE . 82.8 m-85 -70.41 -23.39 62.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.006 0.431 . . . . 0.0 110.453 177.253 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.01 12.83 28.74 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -175.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.447 HG13 ' HB2' ' A' ' 74' ' ' TYR . 65.9 mt -67.67 116.71 7.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.925 0.393 . . . . 0.0 110.691 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.3 t -101.47 -172.82 2.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.002 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.602 ' HG3' ' HA ' ' A' ' 16' ' ' ILE . 22.1 tt0 -76.47 154.74 34.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.495 -177.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 64.29 31.29 13.04 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.583 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 p -85.55 172.23 11.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.393 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -119.42 112.75 19.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.081 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 1.7 mp -106.86 108.51 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.376 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.529 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 21.4 t -87.84 122.07 39.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.58 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.4 t -95.52 103.98 15.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-O 121.032 0.444 . . . . 0.0 110.821 -176.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.441 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 37.7 m-85 -95.29 121.91 37.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.084 176.213 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.1 mt -87.51 126.67 35.05 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.449 ' HE3' ' CB ' ' A' ' 56' ' ' GLN . 38.2 mttt . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.844 -173.553 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 3.3 mppt? . . . . . 0 C--O 1.236 0.371 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.555 HG21 ' O ' ' A' ' 77' ' ' THR . 15.7 pt -91.84 150.91 3.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.252 0.548 . . . . 0.0 111.325 -173.729 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.598 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 46.4 m80 -91.73 106.29 18.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.772 178.064 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.07 140.49 19.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.407 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.6 m -93.64 109.94 21.56 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.9 t -94.44 113.86 29.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.02 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.512 ' HB3' ' NZ ' ' A' ' 21' ' ' LYS . 7.9 mtpm? -101.5 113.62 26.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.654 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -99.18 155.1 36.92 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.359 170.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -59.59 -11.27 13.65 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.676 2.251 . . . . 0.0 112.95 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -123.14 -13.1 7.81 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -159.52 169.81 23.04 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 122.013 -0.429 . . . . 0.0 111.278 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.5 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 24.4 tt0 -144.27 127.02 16.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.953 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -147.32 160.0 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.708 0.29 . . . . 0.0 110.612 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 m -107.74 141.94 38.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.426 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.7 t -128.22 147.32 32.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.151 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.598 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 49.0 mt-10 -95.43 109.74 21.88 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.235 0.54 . . . . 0.0 110.377 175.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.416 HG11 HD12 ' A' ' 40' ' ' LEU . 18.8 m -126.75 153.0 35.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.245 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -66.25 148.61 51.59 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.83 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 33' ' ' ARG . 13.6 ptm180 -75.43 -27.32 58.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.407 0.622 . . . . 0.0 110.331 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.97 14.19 20.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.557 176.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.462 ' HG3' ' HB3' ' A' ' 39' ' ' SER . 6.1 tp10 -63.6 143.65 57.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.328 178.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 13.2 p -79.36 152.98 30.11 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.327 175.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.557 HG12 ' HE3' ' A' ' 41' ' ' LYS . 58.8 t -57.94 -37.04 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.075 0.464 . . . . 0.0 110.839 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.538 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 1.6 t -71.6 -26.77 62.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -178.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.462 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 25.8 t -79.07 -29.63 43.54 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.002 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 57' ' ' LEU . 17.2 tp -63.32 -49.55 73.53 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.058 173.101 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.557 ' HE3' HG12 ' A' ' 37' ' ' VAL . 94.2 mttt -56.26 -44.82 80.1 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.631 176.337 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' HG13 ' A' ' 46' ' ' ILE . 32.3 t70 -59.89 -46.72 88.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.845 -178.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -62.03 -43.86 97.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 40' ' ' LEU . 70.5 mt -62.48 -35.93 72.36 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.714 176.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.97 -29.04 68.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.185 0.517 . . . . 0.0 111.312 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 42' ' ' ASP . 89.7 mt -72.04 -41.54 67.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.496 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -79.24 -55.71 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.02 0.438 . . . . 0.0 110.733 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -94.39 147.77 22.89 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.003 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -78.4 -5.34 52.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.631 -175.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.428 HG21 ' HB3' ' A' ' 55' ' ' MET . 7.7 m -64.81 126.18 90.46 Favored Pre-proline 0 N--CA 1.445 -0.676 0 CA-C-O 121.34 0.59 . . . . 0.0 111.526 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.71 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 38.5 Cg_exo -58.97 143.96 99.45 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.814 2.343 . . . . 0.0 111.33 173.15 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.546 HG23 ' HB3' ' A' ' 41' ' ' LYS . 49.7 mt -59.92 -39.0 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -173.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -78.45 -10.28 59.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.71 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 4.3 mpt_? -93.29 -16.07 25.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.729 0.299 . . . . 0.0 111.361 -176.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.428 ' HB3' HG21 ' A' ' 50' ' ' THR . 22.8 ptt? -114.36 130.03 56.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.101 0.477 . . . . 0.0 110.977 -178.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -111.61 132.47 54.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.687 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.835 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . 19.8 mt -91.7 130.78 37.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.075 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.467 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 76.6 m-85 -126.94 133.96 50.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.874 0.368 . . . . 0.0 110.846 176.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -134.3 113.19 11.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.293 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.6 t 62.84 19.56 11.59 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.776 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.54 -9.58 58.97 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.145 -178.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.4 mt -84.94 128.57 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -84.73 111.67 19.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.602 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.835 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 16.0 mt -87.42 77.85 8.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.833 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.6 -34.82 8.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.406 -177.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -67.94 110.33 3.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.389 0.614 . . . . 0.0 111.498 -175.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.538 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 20.3 m-20 -65.92 -30.46 71.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.495 -173.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -81.95 -0.51 44.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -174.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.485 ' HE ' ' HA ' ' A' ' 69' ' ' ARG . 2.0 mmp_? -89.55 163.77 15.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.615 0.245 . . . . 0.0 110.825 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.578 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 14.8 m120 -111.55 155.43 23.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.627 HD11 HD13 ' A' ' 40' ' ' LEU . 73.0 mt -61.58 -50.86 70.92 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -175.526 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -59.74 -26.86 66.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.609 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.578 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 54.1 mm-40 -58.31 -34.79 70.98 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.929 0.395 . . . . 0.0 110.703 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -84.45 2.9 38.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.66 10.56 57.78 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.61 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.7 mt -72.91 109.33 4.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.208 0.528 . . . . 0.0 110.31 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.555 ' O ' HG21 ' A' ' 16' ' ' ILE . 4.1 t -107.37 -50.07 3.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.158 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 39.3 tt0 178.82 149.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.776 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.444 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 47.6 m-85 59.22 23.8 12.18 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.51 0.506 . . . . 0.0 111.816 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.4 p -70.58 131.5 44.06 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.245 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -85.92 109.65 18.88 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.8 mm -96.0 109.12 22.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.831 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.5 t -90.71 106.03 17.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.695 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.7 t -88.63 105.12 15.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.471 -177.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.467 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 27.0 m-85 -91.24 113.0 25.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.19 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.2 mt -81.88 122.14 27.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.186 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp . . . . . 0 C--N 1.32 -0.675 0 CA-C-O 121.375 0.607 . . . . 0.0 109.763 178.566 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' HE2' ' OD2' ' A' ' 32' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.9 pt -109.47 159.45 8.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.936 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.445 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 69.2 m80 -100.94 112.08 24.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.788 177.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.3 m -97.54 132.39 42.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.165 0.507 . . . . 0.0 110.581 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.517 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 5.7 m -85.62 109.63 18.69 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.671 178.244 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.17 113.76 26.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 120.938 0.399 . . . . 0.0 110.491 -176.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.554 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 71.5 mmtt -91.58 107.11 18.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.39 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -110.03 150.86 42.02 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.133 175.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.16 -19.85 58.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.786 2.324 . . . . 0.0 112.565 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.0 m -93.14 -60.44 1.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.64 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -145.25 174.32 11.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.145 0.497 . . . . 0.0 111.321 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -115.68 142.42 46.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.007 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -154.48 174.11 15.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -122.82 140.65 52.7 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -178.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.0 t -122.23 137.14 56.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.214 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 55.3 mt-10 -89.29 109.97 20.8 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.171 0.51 . . . . 0.0 110.299 176.727 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.536 HG11 HD12 ' A' ' 40' ' ' LEU . 35.0 m -131.22 145.61 35.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.514 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.421 ' OD2' ' HE2' ' A' ' 15' ' ' LYS . 9.3 t0 -64.3 142.75 58.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 176.353 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -73.44 -16.82 61.3 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.616 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.7 p -97.58 9.93 41.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.019 0.438 . . . . 0.0 110.368 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -73.66 148.14 43.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.207 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.6 p -83.44 150.89 25.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.338 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.484 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 74.2 t -58.49 -34.73 51.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.614 -178.191 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.522 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -64.23 -35.07 79.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.894 0.378 . . . . 0.0 110.68 -178.766 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.459 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 34.4 t -80.24 -28.74 38.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 57' ' ' LEU . 18.3 tp -59.41 -52.28 66.27 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.784 176.486 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.67 ' HG3' HD11 ' A' ' 57' ' ' LEU . 48.6 mtmt -65.89 -32.84 74.58 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.887 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.518 ' O ' HG13 ' A' ' 46' ' ' ILE . 23.1 t70 -57.24 -45.89 83.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.481 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.546 ' HA ' HD12 ' A' ' 46' ' ' ILE . 65.2 mttm -68.58 -39.7 80.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.915 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 40' ' ' LEU . 61.9 mt -60.22 -37.45 73.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -65.24 -30.48 71.36 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.712 0.291 . . . . 0.0 111.122 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 43' ' ' LYS . 66.3 mt -72.23 -49.51 42.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.968 0.413 . . . . 0.0 110.709 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.9 t -71.2 -52.29 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.467 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -104.17 124.77 49.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.224 -177.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -78.08 70.57 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.496 0.665 . . . . 0.0 110.392 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.7 m -132.97 128.04 20.46 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.833 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.84 135.55 57.77 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.896 2.398 . . . . 0.0 112.476 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.39 -18.86 24.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.221 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -67.94 -26.35 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.339 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -94.97 -46.49 6.81 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -174.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' MET . . . . . 0.4 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 23.9 ptt? -80.52 116.55 20.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.535 0.683 . . . . 0.0 111.726 -173.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -111.72 133.14 54.15 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.445 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.869 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . 18.5 mt -90.6 140.24 29.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.22 -171.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.429 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 51.6 m-85 -131.67 139.43 49.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.382 174.816 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.492 ' CD2' HG12 ' A' ' 76' ' ' ILE . 40.6 t80 -130.96 112.92 13.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.071 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.4 t 61.89 -94.41 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.293 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.66 7.21 6.98 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 173.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.1 mt -98.95 129.25 49.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.09 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -86.48 134.24 33.69 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.75 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.869 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 56.5 mt -91.19 63.02 4.92 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.53 -23.9 29.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.323 -175.482 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -92.74 107.47 19.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.494 0.664 . . . . 0.0 111.262 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.522 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 1.1 m-20 -66.49 -33.39 75.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.654 -1.157 . . . . 0.0 112.639 -175.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -78.46 -12.93 60.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -171.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.448 ' HE ' ' HG3' ' A' ' 73' ' ' GLU . 4.9 mtp85 -86.78 152.14 22.76 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.004 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.513 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 72.2 m-20 -81.25 154.25 26.7 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.546 177.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.7 HD21 HD22 ' A' ' 40' ' ' LEU . 66.7 mt -59.94 -31.96 70.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.789 0.804 . . . . 0.0 109.378 174.2 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -55.71 -35.07 65.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.992 174.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 15.2 mm-40 -66.56 -23.32 66.19 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.195 -175.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -98.96 -12.84 20.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.538 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.26 38.82 9.62 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.249 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.492 HG12 ' CD2' ' A' ' 59' ' ' TYR . 43.8 mt -80.1 118.73 28.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.931 0.396 . . . . 0.0 110.233 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.6 t -101.4 -175.85 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.515 -173.531 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.577 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 10.9 tp10 -67.13 139.26 57.49 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.104 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 58.7 m-85 55.82 51.37 12.4 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.366 0.603 . . . . 0.0 110.898 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.457 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 4.4 p -97.79 145.28 26.54 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.358 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.517 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 4.3 mp0 -89.84 123.07 33.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.159 0.504 . . . . 0.0 110.94 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.48 112.57 40.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.118 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.554 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 37.1 t -87.48 110.7 20.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.674 -177.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 58.3 t -95.75 108.98 21.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.037 0.446 . . . . 0.0 110.449 -178.853 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.429 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 45.3 m-85 -91.56 118.66 30.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.674 176.803 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.1 mt -85.3 110.92 19.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.194 0.521 . . . . 0.0 109.907 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.1 mttt . . . . . 0 C--N 1.316 -0.85 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.012 -177.339 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? . . . . . 0 N--CA 1.446 -0.626 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.9 pt -96.59 144.4 10.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-O 121.317 0.58 . . . . 0.0 111.271 -173.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' HIS . . . . . 0.421 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 8.4 m80 -82.47 100.19 9.91 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.298 175.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 m -93.07 141.76 14.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.495 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -90.64 109.28 20.45 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.2 t -95.51 109.54 22.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.065 0.46 . . . . 0.0 109.786 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.432 ' HG2' ' HG3' ' A' ' 26' ' ' GLN . 44.0 mtmt -96.71 101.05 12.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.326 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -92.64 152.05 41.6 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.119 171.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.39 -23.24 74.17 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.202 1.934 . . . . 0.0 111.547 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 m -87.56 -36.72 17.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.577 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -161.05 166.57 27.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.697 0.284 . . . . 0.0 110.826 -172.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.432 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 27.6 tt0 -122.79 126.42 47.4 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -146.77 160.08 42.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.035 0.445 . . . . 0.0 110.956 -177.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.45 139.23 39.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.229 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.6 t -121.81 139.1 49.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -89.72 102.56 15.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.195 0.521 . . . . 0.0 110.455 175.538 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.53 HG12 ' HD2' ' A' ' 43' ' ' LYS . 35.4 m -122.57 145.82 28.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.592 177.396 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASP . . . . . 0.461 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 10.4 t0 -70.97 139.95 50.74 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -75.87 -12.24 60.12 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.026 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 p -98.75 12.36 35.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.182 0.515 . . . . 0.0 110.664 172.307 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.461 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 10.4 tp10 -83.65 158.69 21.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.556 176.683 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 p -92.82 157.43 16.4 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.58 -176.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.549 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 95.8 t -59.83 -33.8 53.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.454 -178.801 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.562 ' HB3' ' HB3' ' A' ' 67' ' ' ASP . 1.0 OUTLIER -62.58 -37.45 86.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.536 179.745 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . 0.44 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 17.4 m -79.28 -26.14 42.36 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.093 0.473 . . . . 0.0 109.824 -179.178 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.558 HD13 HD11 ' A' ' 71' ' ' LEU . 16.0 tp -60.27 -49.03 79.23 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HE3' HG12 ' A' ' 37' ' ' VAL . 92.2 mttt -61.98 -41.08 97.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.525 176.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.46 ' O ' HG13 ' A' ' 46' ' ' ILE . 21.7 t70 -57.4 -48.09 80.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.663 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HD2' HG12 ' A' ' 31' ' ' VAL . 55.0 mttm -66.59 -43.47 84.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.213 -178.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.95 -39.65 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.486 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.67 -30.34 71.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.111 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.7 mt -75.22 -47.87 33.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.944 0.402 . . . . 0.0 110.894 178.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.75 -54.46 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.06 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -100.98 152.76 20.18 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.778 -177.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -93.41 81.04 4.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.372 0.606 . . . . 0.0 110.957 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' THR . . . . . 0.595 HG21 HD22 ' A' ' 86' ' ' LEU . 97.9 m -150.0 127.47 5.59 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.237 174.528 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -57.5 139.77 91.2 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.769 2.313 . . . . 0.0 111.577 173.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.71 -23.96 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 0.0 110.796 -178.508 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -76.56 -10.3 59.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.937 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -104.27 -45.64 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.602 0.239 . . . . 0.0 111.539 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -79.24 133.26 36.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.176 0.512 . . . . 0.0 111.37 -176.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -112.83 125.07 53.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.878 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.456 HD13 HD23 ' A' ' 40' ' ' LEU . 53.6 mt -87.74 128.87 35.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 -175.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' TYR . . . . . 0.583 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 51.8 m-85 -122.29 121.78 37.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 175.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -93.1 117.97 30.67 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 168.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.1 p 55.54 -95.87 0.06 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.263 0.625 . . . . 0.0 111.055 -172.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -125.76 10.15 7.56 Favored Glycine 0 N--CA 1.453 -0.194 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.091 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.6 mt -105.68 130.25 57.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.921 -0.639 . . . . 0.0 110.052 -175.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.498 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -85.37 141.47 29.99 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.036 0.446 . . . . 0.0 109.97 179.404 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.4 mt -89.95 88.3 7.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.161 0.505 . . . . 0.0 109.725 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.91 -35.54 17.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.112 -173.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -89.17 105.57 17.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.134 0.492 . . . . 0.0 111.54 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.562 ' HB3' ' HB3' ' A' ' 38' ' ' SER . 5.6 m-20 -63.23 -41.61 99.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.094 -178.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -68.15 -11.54 59.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.05 -176.477 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -77.89 143.96 37.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.805 0.336 . . . . 0.0 111.541 -177.013 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASN . . . . . 0.545 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 14.4 m120 -80.41 149.53 30.12 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.558 HD11 HD13 ' A' ' 40' ' ' LEU . 66.3 mt -59.57 -31.01 69.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.691 0.758 . . . . 0.0 109.554 175.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -58.41 -36.94 74.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.946 175.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.545 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 10.4 mm-40 -66.02 -30.87 71.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.861 0.363 . . . . 0.0 110.649 -175.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -83.5 -13.28 54.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.876 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.86 37.93 12.43 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.757 -176.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.8 mt -85.44 120.54 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.05 0.452 . . . . 0.0 110.246 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.8 t -113.35 -174.85 2.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.691 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.449 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 26.0 tt0 -76.51 145.91 38.8 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PHE . . . . . 0.449 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 65.1 m-85 68.32 29.66 5.82 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.726 -176.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -85.84 164.32 17.59 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.166 174.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -106.62 119.07 38.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.401 0.619 . . . . 0.0 111.391 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.1 mm -108.87 106.55 20.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.034 173.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.583 ' HB ' ' HB2' ' A' ' 58' ' ' TYR . 12.2 t -89.83 122.14 40.84 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.818 -176.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.1 t -105.99 101.09 11.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.135 0.493 . . . . 0.0 110.755 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -95.46 119.21 33.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.115 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.595 HD22 HG21 ' A' ' 50' ' ' THR . 24.3 mt -85.53 116.01 23.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.166 -176.71 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.434 ' HA ' ' HZ2' ' A' ' 87' ' ' LYS . 2.0 mmpm? . . . . . 0 C--N 1.319 -0.717 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mtp . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 3' ' ' HIS . . . 82.3 -166.68 46.26 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -175.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 2' ' ' GLY . 40.4 t-80 71.63 -4.25 1.94 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.242 0.544 . . . . 0.0 111.148 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -84.43 80.79 9.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.246 0.546 . . . . 0.0 110.484 -176.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -86.67 155.57 20.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.412 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -76.44 143.68 40.41 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -154.09 132.34 11.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.258 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -119.08 85.04 2.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.807 0.813 . . . . 0.0 109.634 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 m -70.57 -32.03 69.27 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.726 -176.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -155.06 114.34 3.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.674 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.82 -32.41 16.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.68 0.752 . . . . 0.0 110.434 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.55 70.52 10.44 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.096 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.6 p -157.2 152.1 7.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.736 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -98.47 128.75 44.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.879 0.371 . . . . 0.0 110.019 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -76.91 139.98 40.37 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.9 pt -94.41 157.42 3.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.277 0.56 . . . . 0.0 110.729 -175.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.656 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 77.7 m80 -103.5 111.59 24.12 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.383 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -100.18 141.34 17.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.945 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -91.88 110.02 21.37 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.907 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.5 t -94.5 111.63 25.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.946 0.403 . . . . 0.0 109.957 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -108.61 114.5 28.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.671 -176.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.464 ' C ' ' H ' ' A' ' 24' ' ' SER . 27.4 m-85 -95.21 166.64 14.42 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.36 19.96 0.25 Allowed 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.758 2.306 . . . . 0.0 112.042 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 22' ' ' PHE . 13.9 p -150.63 -55.29 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.011 -176.359 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -119.34 165.21 14.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.18 -175.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -140.26 127.07 20.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.953 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -146.83 162.41 38.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.754 0.312 . . . . 0.0 110.376 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -111.43 141.15 45.36 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 t -126.93 139.62 51.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.083 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.656 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 50.3 mt-10 -88.92 112.92 23.88 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 121.422 0.63 . . . . 0.0 110.008 176.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.443 HG12 ' CD ' ' A' ' 43' ' ' LYS . 15.2 m -130.74 154.42 40.62 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.207 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -73.17 155.13 39.94 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.47 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -76.43 -19.83 57.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.007 0.432 . . . . 0.0 111.066 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.9 p -100.92 14.34 32.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.248 0.547 . . . . 0.0 110.504 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' HG3' ' HB2' ' A' ' 39' ' ' SER . 6.2 tp10 -63.51 140.03 58.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.296 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -74.4 154.42 38.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.268 178.349 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.7 -37.25 77.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.29 0.567 . . . . 0.0 109.716 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.577 ' HB3' ' CG ' ' A' ' 67' ' ' ASP . 2.8 p -62.18 -38.96 91.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.802 174.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.415 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 22.2 m -78.54 -22.06 47.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.23 0.538 . . . . 0.0 109.633 -174.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.771 HD23 HD13 ' A' ' 57' ' ' LEU . 15.9 tp -71.06 -50.0 38.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.52 -0.764 . . . . 0.0 108.988 173.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HB3' HG23 ' A' ' 52' ' ' ILE . 86.5 mttt -64.67 -33.6 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.785 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.448 ' O ' HG13 ' A' ' 46' ' ' ILE . 2.0 m-20 -54.74 -53.36 56.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.978 0.418 . . . . 0.0 110.591 174.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' CD ' HG12 ' A' ' 31' ' ' VAL . 57.9 mttp -62.18 -41.3 98.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.286 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 40' ' ' LEU . 68.1 mt -65.36 -38.15 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.66 0.267 . . . . 0.0 110.721 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -64.96 -30.26 71.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.989 0.423 . . . . 0.0 111.009 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 42' ' ' ASP . 86.4 mt -70.27 -32.09 49.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.005 0.431 . . . . 0.0 110.37 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.03 -54.95 7.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.514 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.558 ' CD ' ' H ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER -97.85 165.73 11.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.196 0.522 . . . . 0.0 110.585 -174.534 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.558 ' H ' ' CD ' ' A' ' 48' ' ' GLU . 32.5 m-80 -76.83 -27.88 55.32 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.419 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.66 ' OG1' ' HE2' ' A' ' 93' ' ' LYS . 21.3 m -57.04 126.46 73.29 Favored Pre-proline 0 C--O 1.235 0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 112.483 -175.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.712 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 39.7 Cg_exo -60.75 151.72 74.69 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 123.229 2.62 . . . . 0.0 112.164 171.393 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 41' ' ' LYS . 53.3 mt -60.36 -47.01 94.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -173.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -68.92 -21.18 64.23 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.712 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 3.6 mpt_? -89.76 -29.35 18.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.734 -0.387 . . . . 0.0 111.909 -174.611 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.564 ' HB3' HG21 ' A' ' 50' ' ' THR . 21.9 ptt? -90.47 129.09 36.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.986 0.422 . . . . 0.0 110.543 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.501 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 12.4 mm-40 -110.4 137.46 48.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.549 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.771 HD13 HD23 ' A' ' 40' ' ' LEU . 31.9 mt -99.0 128.96 45.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.038 -176.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -118.79 121.85 41.02 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.761 0.315 . . . . 0.0 110.589 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -114.94 102.06 9.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 m 51.48 33.13 9.79 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.666 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 113.44 -18.01 20.8 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.504 -0.855 . . . . 0.0 113.106 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.13 125.56 51.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 117.016 0.408 . . . . 0.0 110.641 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -79.66 118.7 21.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.835 174.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.639 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 22.5 mt -85.5 79.33 9.45 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.45 -8.86 18.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.558 -175.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.526 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . 65.4 m-20 -89.6 95.59 10.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.235 0.541 . . . . 0.0 110.839 -178.505 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.577 ' CG ' ' HB3' ' A' ' 38' ' ' SER . 17.9 t70 -58.92 -26.78 64.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.592 -176.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -86.58 -13.77 44.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.683 -173.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.526 ' HG3' ' HB3' ' A' ' 66' ' ' ASP . 63.4 mtp180 -89.47 166.87 13.42 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.95 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.508 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 90.8 m-20 -103.11 170.41 7.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.383 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.689 HD11 HD13 ' A' ' 40' ' ' LEU . 63.6 mt -68.32 -32.74 73.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.003 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.11 -28.42 70.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.37 -34.64 75.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.155 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -92.24 -12.33 32.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.52 55.72 3.85 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.028 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.484 HD12 HD22 ' A' ' 71' ' ' LEU . 59.2 mt -100.56 122.33 52.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -178.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 t -110.1 -171.65 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.623 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.479 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 35.5 tt0 -74.47 152.72 39.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.633 0.254 . . . . 0.0 110.948 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 68.11 21.82 8.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.483 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -73.06 146.06 46.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.381 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -100.51 100.9 11.71 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.12 0.486 . . . . 0.0 110.105 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.5 mm -94.43 106.7 18.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.646 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.66 115.65 29.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.534 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.5 t -97.18 107.59 20.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.986 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -96.13 118.76 33.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.239 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.565 HD22 HG21 ' A' ' 50' ' ' THR . 21.8 mt -85.93 119.6 26.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.728 -176.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -89.65 68.44 7.63 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.421 0.629 . . . . 0.0 110.089 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.0 m -146.69 97.27 2.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.059 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 24.8 pt -117.21 3.25 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.294 -0.412 . . . . 0.0 112.066 -174.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -90.05 -36.19 15.04 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -131.23 110.34 11.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.441 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.76 154.94 41.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.539 -175.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.66 ' HE2' ' OG1' ' A' ' 50' ' ' THR . 0.0 OUTLIER -145.53 162.48 37.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.492 176.487 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.181 -0.914 . . . . 0.0 108.876 174.18 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.961 0.41 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.33 98.54 0.21 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.576 -0.609 . . . . 0.0 111.576 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -135.97 109.62 8.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.226 0.536 . . . . 0.0 111.062 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -115.38 6.79 14.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.587 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -129.3 125.34 36.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.149 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -150.81 144.11 24.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.304 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -94.47 -41.82 9.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.289 0.566 . . . . 0.0 110.229 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -141.85 -174.51 4.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.925 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 p -136.46 91.84 2.7 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.385 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -72.31 -43.41 64.21 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.83 98.45 10.76 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 168.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.49 78.6 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.299 0.571 . . . . 0.0 111.214 -174.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.2 p -97.01 117.88 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-O 121.649 0.738 . . . . 0.0 110.043 176.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -95.29 125.88 40.23 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.261 -175.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -71.17 139.8 50.31 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.0 pt -88.16 142.9 12.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-O 121.495 0.664 . . . . 0.0 110.797 -172.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.5 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 66.5 m80 -94.21 101.17 13.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.917 -177.187 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 29' ' ' VAL . 35.3 m -90.28 147.99 4.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 -177.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 m -96.57 109.5 22.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.7 t -97.28 112.7 29.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.087 0.47 . . . . 0.0 109.904 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.595 ' HD2' ' HG3' ' A' ' 81' ' ' GLU . 50.3 mtpt -107.32 106.06 16.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.608 -174.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -92.85 160.45 33.99 Favored Pre-proline 0 C--N 1.318 -0.795 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.0 -18.91 64.1 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.463 2.108 . . . . 0.0 112.506 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.2 m -103.32 -28.44 11.85 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -163.18 165.08 24.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.046 0.45 . . . . 0.0 111.295 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.488 ' OE1' ' HE3' ' A' ' 21' ' ' LYS . 22.3 tt0 -129.45 136.59 50.1 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.028 178.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -148.6 166.92 26.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.673 0.273 . . . . 0.0 110.855 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -103.83 140.6 37.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.309 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 18' ' ' VAL . 57.8 t -126.28 140.86 47.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.093 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.5 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 43.9 mt-10 -92.12 120.05 32.36 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.443 0.639 . . . . 0.0 110.672 175.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.755 HG11 HD12 ' A' ' 40' ' ' LEU . 33.9 m -133.21 158.44 43.07 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.517 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -75.74 152.82 37.34 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.888 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -72.18 -23.84 61.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.801 0.334 . . . . 0.0 111.072 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.9 p -103.47 13.97 32.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.189 0.519 . . . . 0.0 110.189 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 33.0 tt0 -67.79 149.18 50.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.173 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 32.3 p -84.9 157.52 20.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.754 0.312 . . . . 0.0 110.689 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.476 HG12 ' HE3' ' A' ' 41' ' ' LYS . 61.4 t -60.36 -26.11 36.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.666 0.746 . . . . 0.0 109.788 176.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 t -63.86 -48.34 77.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.856 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.6 m -76.46 -21.56 55.71 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.534 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.755 HD12 HG11 ' A' ' 31' ' ' VAL . 12.1 tp -65.47 -53.98 34.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.501 175.269 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.542 ' HB3' HG23 ' A' ' 52' ' ' ILE . 89.5 mttt -62.26 -34.99 77.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.492 178.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.507 ' O ' HG13 ' A' ' 46' ' ' ILE . 21.8 t70 -56.46 -53.6 55.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.154 -177.114 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.452 ' CE ' HG12 ' A' ' 31' ' ' VAL . 37.3 mtmm -69.26 -33.14 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.74 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 40' ' ' LEU . 66.6 mt -62.07 -37.89 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 175.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -70.02 -29.77 66.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 42' ' ' ASP . 91.0 mt -73.69 -39.46 53.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.907 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.5 t -76.3 -47.85 29.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.154 0.502 . . . . 0.0 110.708 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 4.0 mm-40 -95.57 -170.27 2.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.567 -175.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -106.62 -40.53 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.931 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.447 HG21 ' HB3' ' A' ' 55' ' ' MET . 29.6 m -49.85 123.61 15.38 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.062 -176.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.438 ' HG3' ' HB2' ' A' ' 92' ' ' ALA . 40.7 Cg_exo -57.2 148.87 67.36 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.028 2.486 . . . . 0.0 111.812 173.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 41' ' ' LYS . 66.3 mt -60.73 -35.67 65.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.764 -173.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -78.45 -10.06 59.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.112 -174.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.529 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -103.56 -16.9 15.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 111.312 -175.663 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.447 ' HB3' HG21 ' A' ' 50' ' ' THR . 24.5 ptt? -110.26 135.78 50.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.285 178.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -110.77 132.51 54.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.374 -178.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.466 HD13 HD23 ' A' ' 40' ' ' LEU . 54.7 mt -92.74 128.93 38.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.524 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.464 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 74.8 m-85 -121.49 120.9 36.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.888 0.375 . . . . 0.0 110.804 176.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -90.7 102.1 14.85 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.0 m 60.76 17.06 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.16 -16.32 20.23 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.125 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 59.9 mt -80.0 126.68 39.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 122.262 0.225 . . . . 0.0 110.54 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -78.47 118.91 21.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.819 0.342 . . . . 0.0 110.474 -177.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.8 mt -83.6 88.62 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.027 0.442 . . . . 0.0 110.21 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.87 -38.47 16.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.229 -174.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.509 ' HB2' ' HB2' ' A' ' 69' ' ' ARG . 24.9 m-20 -78.87 105.92 10.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.876 0.37 . . . . 0.0 110.599 -175.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -71.64 -27.38 63.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.577 0.703 . . . . 0.0 110.198 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -84.68 -9.98 57.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.613 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.509 ' HB2' ' HB2' ' A' ' 66' ' ' ASP . 12.4 mtt85 -83.08 152.1 25.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.163 0.506 . . . . 0.0 112.144 -176.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.488 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 8.5 m-20 -79.19 161.63 26.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.458 175.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.603 HD11 HD13 ' A' ' 40' ' ' LEU . 67.8 mt -68.0 -32.76 73.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.862 0.363 . . . . 0.0 110.679 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.417 ' OD1' ' HB3' ' A' ' 70' ' ' ASN . 2.5 p-10 -63.01 -27.56 69.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 177.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 14.3 mm-40 -55.62 -39.17 70.44 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.971 0.415 . . . . 0.0 110.906 175.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.447 ' HB2' HG13 ' A' ' 76' ' ' ILE . 81.3 m-85 -94.49 0.19 55.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.653 -178.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.82 30.37 61.71 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.411 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 71' ' ' LEU . 58.0 mt -76.13 119.11 23.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.082 0.468 . . . . 0.0 111.164 -177.346 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.2 t -114.55 -168.85 1.43 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.174 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.523 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 42.3 tt0 -72.7 147.81 45.31 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 42.3 m-85 62.71 33.78 15.25 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.511 0.672 . . . . 0.0 110.322 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 p -78.02 133.85 37.89 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.726 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.595 ' HG3' ' HD2' ' A' ' 21' ' ' LYS . 40.8 tt0 -90.9 103.95 16.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.343 0.592 . . . . 0.0 110.585 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.5 mm -98.6 108.49 22.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.854 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 t -91.3 122.31 42.59 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.567 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.51 103.74 15.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.099 0.476 . . . . 0.0 111.0 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.464 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 53.1 m-85 -91.61 130.63 37.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.727 176.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.615 HD13 HG21 ' A' ' 89' ' ' ILE . 42.4 mt -101.99 129.5 48.3 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.65 -174.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -82.29 -62.54 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.762 0.791 . . . . 0.0 110.605 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.9 m -151.06 108.81 3.67 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.103 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.615 HG21 HD13 ' A' ' 86' ' ' LEU . 9.9 pt -89.77 102.14 12.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.36 0.6 . . . . 0.0 112.021 -173.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -89.94 136.89 32.77 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 171.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -72.36 96.92 1.94 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.463 -175.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . 0.438 ' HB2' ' HG3' ' A' ' 51' ' ' PRO . . . -70.22 -65.79 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.265 -177.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -87.47 -96.47 0.09 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.526 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.766 175.947 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.2 ttp . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.09 -150.15 18.67 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.193 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -74.52 -36.65 63.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.796 0.332 . . . . 0.0 111.004 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -75.81 113.12 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -111.38 178.85 4.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.698 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -102.9 104.63 14.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.264 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -87.43 150.44 23.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -67.55 150.82 48.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.133 173.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 t -145.3 120.25 10.0 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.913 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -96.41 25.37 5.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.304 0.573 . . . . 0.0 110.316 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -106.58 149.33 27.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.672 176.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.9 22.12 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -176.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.67 127.24 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -102.23 132.44 48.16 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.382 0.61 . . . . 0.0 111.926 -170.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -78.42 142.97 37.18 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.38 175.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.591 HG21 ' O ' ' A' ' 77' ' ' THR . 24.4 pt -110.14 172.42 2.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.429 -173.513 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.649 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 49.2 m80 -112.65 103.3 11.34 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.651 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 29' ' ' VAL . 34.7 m -87.43 146.33 6.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.53 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.524 ' HB ' ' HG2' ' A' ' 81' ' ' GLU . 27.3 m -100.73 109.79 21.84 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.2 t -91.63 116.76 33.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.109 0.48 . . . . 0.0 110.485 -177.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -103.31 105.69 16.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.127 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' C ' ' H ' ' A' ' 24' ' ' SER . 11.6 m-85 -94.29 156.62 38.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.92 33.86 0.28 Allowed 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 122.738 2.292 . . . . 0.0 112.698 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 22' ' ' PHE . 3.4 p -156.32 -53.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.602 -178.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.04 165.14 27.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.778 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -125.68 141.05 52.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.383 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -152.8 158.96 43.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m -101.36 144.55 30.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.586 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.401 ' O ' HG22 ' A' ' 18' ' ' VAL . 42.0 t -132.04 142.46 42.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.649 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 49.9 mt-10 -91.49 120.61 32.46 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.371 0.605 . . . . 0.0 110.889 177.389 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG12 ' HD2' ' A' ' 43' ' ' LYS . 5.6 m -137.32 154.58 30.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.195 177.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -75.0 152.37 38.74 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.85 -19.17 59.1 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.479 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.9 p -97.57 13.78 28.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.239 0.542 . . . . 0.0 110.194 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HG3' ' HB2' ' A' ' 39' ' ' SER . 5.4 tp10 -65.12 147.91 52.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.721 -178.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.2 149.11 29.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.407 173.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.516 HG12 ' HE3' ' A' ' 41' ' ' LYS . 53.7 t -59.18 -32.31 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.119 0.485 . . . . 0.0 110.39 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.619 ' HB3' ' HB3' ' A' ' 67' ' ' ASP . 12.4 p -60.98 -39.75 90.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.921 175.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.485 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 20.0 m -79.58 -17.63 53.47 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.036 -175.764 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.547 HD13 HD11 ' A' ' 71' ' ' LEU . 18.7 tp -72.69 -52.43 15.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.16 174.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.525 ' HB3' HG23 ' A' ' 52' ' ' ILE . 90.8 mttt -59.8 -37.51 79.34 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.067 176.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' O ' HG13 ' A' ' 46' ' ' ILE . 9.3 t70 -54.49 -54.05 46.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.046 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.575 ' HD2' HG12 ' A' ' 31' ' ' VAL . 62.2 mttp -62.95 -41.18 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.349 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.18 -35.45 75.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.823 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -71.13 -30.86 67.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.919 0.39 . . . . 0.0 111.136 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.7 mt -69.73 -27.77 34.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.341 0.591 . . . . 0.0 109.467 176.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.2 t -78.49 -60.04 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.319 175.058 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -111.01 152.34 26.95 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.195 0.521 . . . . 0.0 111.649 -168.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -71.6 -8.07 51.74 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.925 -171.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.638 ' HA ' ' HB3' ' A' ' 90' ' ' ASN . 26.0 m -70.3 123.25 88.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 121.316 0.579 . . . . 0.0 111.612 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.474 ' HG2' ' HD2' ' A' ' 54' ' ' ARG . 48.9 Cg_exo -56.52 143.29 88.52 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.452 2.768 . . . . 0.0 112.531 173.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.525 HG23 ' HB3' ' A' ' 41' ' ' LYS . 56.4 mt -60.73 -40.65 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.015 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -72.82 -9.68 58.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.523 ' HB3' ' O ' ' A' ' 88' ' ' SER . 60.1 mtt180 -100.3 -40.22 7.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.929 0.395 . . . . 0.0 111.296 -178.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.401 ' HB3' HG21 ' A' ' 50' ' ' THR . 26.0 ptt? -85.38 124.81 32.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.789 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.411 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 19.6 tt0 -111.68 131.06 55.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.472 -178.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.697 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . 41.2 mt -88.38 136.93 32.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.927 -174.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -128.81 122.27 30.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 175.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -101.43 107.36 18.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.0 t 64.53 -79.63 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.636 0.585 . . . . 0.0 110.208 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -143.64 8.53 2.05 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 55.9 mt -95.42 125.05 48.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.412 -0.394 . . . . 0.0 110.019 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -79.37 113.02 17.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.231 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.697 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 56.1 mt -83.44 77.16 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.378 0.608 . . . . 0.0 110.488 -177.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.36 -53.78 4.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.185 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -59.03 112.72 1.78 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.226 0.536 . . . . 0.0 111.661 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.619 ' HB3' ' HB3' ' A' ' 38' ' ' SER . 11.8 m-20 -76.43 -34.46 58.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.36 -177.353 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -76.17 -5.16 45.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.005 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -83.59 163.26 20.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.031 0.443 . . . . 0.0 111.101 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.455 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 5.1 m-20 -100.08 152.99 19.59 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.191 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 40' ' ' LEU . 60.1 mt -65.1 -36.85 85.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.679 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.455 ' OD1' ' HB3' ' A' ' 70' ' ' ASN . 3.5 p-10 -59.88 -28.09 67.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.545 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.455 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 42.3 mt-10 -66.54 -30.4 70.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.594 0.235 . . . . 0.0 111.225 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -86.95 -7.0 58.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.673 0.273 . . . . 0.0 111.373 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.33 24.78 18.01 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.123 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.541 HG23 ' OG ' ' A' ' 80' ' ' SER . 59.4 mt -82.72 106.72 13.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.318 0.58 . . . . 0.0 110.006 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.591 ' O ' HG21 ' A' ' 16' ' ' ILE . 1.7 t -108.82 -54.42 2.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.883 -174.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.555 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 9.5 tp10 -172.57 144.78 1.49 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.555 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 61.3 m-85 56.86 26.73 11.98 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.764 0.425 . . . . 0.0 111.713 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.541 ' OG ' HG23 ' A' ' 76' ' ' ILE . 6.0 p -73.68 125.25 27.62 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.524 ' HG2' ' HB ' ' A' ' 19' ' ' THR . 48.3 mt-10 -85.95 128.3 34.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.643 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.8 mm -112.91 117.72 56.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.5 t -91.84 119.1 38.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.0 t -96.12 103.69 14.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.196 0.522 . . . . 0.0 110.72 -176.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -91.36 112.4 24.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.214 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.535 HD22 HG21 ' A' ' 50' ' ' THR . 25.7 mt -80.34 103.41 10.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.854 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' A' ' 56' ' ' GLN . 23.6 mmtp -74.51 -27.14 60.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.018 0.913 . . . . 0.0 108.643 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.523 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 23.9 t -141.32 128.22 20.57 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.156 -1.384 . . . . 0.0 108.173 173.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.6 pt -71.88 171.2 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.66 0.267 . . . . 0.0 110.688 -178.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.638 ' HB3' ' HA ' ' A' ' 50' ' ' THR . 10.4 p30 -92.15 151.09 20.56 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.53 115.28 27.17 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -177.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -161.16 83.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.104 -177.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt 55.81 30.61 16.09 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.871 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.619 -0.705 . . . . 0.0 109.86 177.516 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 ttp . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.887 0.375 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.57 144.61 4.41 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.956 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -112.52 139.79 47.81 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -98.78 118.92 36.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.161 -178.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -117.97 153.36 33.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.692 0.282 . . . . 0.0 110.267 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -133.06 25.95 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.122 0.487 . . . . 0.0 109.778 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -60.77 118.51 6.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.128 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -103.97 136.5 43.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.918 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -83.71 46.85 1.21 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.387 0.613 . . . . 0.0 110.234 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -151.21 164.83 35.67 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.25 105.52 0.15 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.941 0.4 . . . . 0.0 110.952 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.53 174.14 6.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.448 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 p -69.99 146.09 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.068 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' A' ' 14' ' ' ARG . 14.6 mmm180 -91.86 117.23 29.6 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 121.185 0.517 . . . . 0.0 110.861 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.05 135.59 33.94 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 177.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.495 HG23 ' HG2' ' A' ' 33' ' ' ARG . 31.8 pt -88.11 143.57 10.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.193 0.521 . . . . 0.0 110.229 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.432 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 59.6 m80 -91.27 102.65 15.36 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.382 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.7 m -91.36 141.27 14.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.224 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -101.39 109.84 21.74 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 177.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.74 116.29 31.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.707 -174.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.491 ' HE3' ' HG2' ' A' ' 81' ' ' GLU . 1.7 mptm? -94.68 110.13 22.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.078 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 5.7 m-85 -112.33 148.69 39.69 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.609 172.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -67.62 -10.59 29.25 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.133 1.889 . . . . 0.0 111.259 172.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 m -95.6 -37.81 10.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.013 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 20.1 ptpt -167.52 174.42 7.87 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.331 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -131.67 133.13 44.56 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -151.73 161.84 42.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.86 0.362 . . . . 0.0 111.188 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -107.79 143.69 36.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.812 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.1 t -130.14 141.7 45.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.349 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -89.82 109.15 20.16 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.272 0.558 . . . . 0.0 110.275 172.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.0 m -121.18 153.6 24.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.709 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 12.0 t70 -69.47 153.58 43.3 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.495 ' HG2' HG23 ' A' ' 16' ' ' ILE . 95.7 mtt180 -66.71 -28.05 68.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.261 0.553 . . . . 0.0 110.689 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.4 p -98.82 14.53 28.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.676 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 4.9 tp10 -58.0 129.81 43.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.25 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -71.72 154.58 41.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.296 176.719 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.432 HG12 ' HE3' ' A' ' 41' ' ' LYS . 87.0 t -61.78 -36.48 73.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.327 0.585 . . . . 0.0 109.787 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.6 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 1.7 p -62.94 -34.16 76.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.765 174.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 m -79.75 -32.49 41.05 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.957 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.641 HD13 HD11 ' A' ' 71' ' ' LEU . 18.4 tp -62.38 -44.87 95.44 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.657 176.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HE3' HG12 ' A' ' 37' ' ' VAL . 92.3 mttt -58.26 -44.85 88.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.79 177.228 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.518 ' O ' HG13 ' A' ' 46' ' ' ILE . 33.6 t70 -63.54 -43.19 97.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.468 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -54.77 -50.48 68.35 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.629 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.71 -38.87 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.823 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.77 -30.87 71.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.517 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 42' ' ' ASP . 98.9 mt -73.36 -36.83 49.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.973 0.416 . . . . 0.0 110.922 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.0 t -81.13 -49.99 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.072 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -93.12 -171.62 2.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -99.49 -45.14 5.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.255 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.46 HG21 ' HB3' ' A' ' 55' ' ' MET . 16.4 m -46.3 126.75 7.58 Favored Pre-proline 0 C--O 1.236 0.375 0 CA-C-N 114.799 -1.091 . . . . 0.0 113.274 -172.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 50' ' ' THR . 35.6 Cg_exo -60.27 147.06 95.06 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 123.406 2.737 . . . . 0.0 112.039 171.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.43 ' CG2' ' HD3' ' A' ' 41' ' ' LYS . 84.8 mt -61.43 -29.06 45.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.742 -176.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HE3' ' HB2' ' A' ' 53' ' ' LYS . 48.8 mtmt -63.43 -37.89 89.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.952 0.406 . . . . 0.0 111.96 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.442 ' NH2' ' HA ' ' A' ' 94' ' ' ASP . 48.9 mtt180 -92.06 -36.03 13.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.834 -168.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.46 ' HB3' HG21 ' A' ' 50' ' ' THR . 26.7 ptt? -83.01 130.01 35.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.11 0.481 . . . . 0.0 111.008 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -115.19 135.76 53.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.786 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.58 HD13 HD23 ' A' ' 40' ' ' LEU . 43.3 mt -95.6 128.76 42.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.171 -173.009 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.497 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 63.8 m-85 -129.23 137.98 51.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.415 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -123.45 112.57 17.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.151 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.2 t 65.79 -88.67 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 O-C-N 123.611 0.57 . . . . 0.0 110.051 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.77 9.56 3.67 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 173.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.4 mt -98.34 126.58 51.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.111 -0.545 . . . . 0.0 110.513 -176.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -80.45 120.02 23.9 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.925 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.3 mt -80.66 80.3 7.14 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.93 -33.57 13.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.1 -175.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.484 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 59.3 m-20 -71.82 96.67 1.68 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.086 0.469 . . . . 0.0 110.663 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.6 ' OD2' ' HB3' ' A' ' 38' ' ' SER . 17.2 t70 -66.52 -27.54 67.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.541 -178.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -82.21 -11.38 58.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.527 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -85.67 164.79 17.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 111.494 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.56 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 1.8 m-20 -106.31 166.99 10.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.467 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.641 HD11 HD13 ' A' ' 40' ' ' LEU . 56.5 mt -64.1 -38.63 91.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.855 0.36 . . . . 0.0 111.318 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -59.36 -27.95 66.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.111 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 6.1 mm-40 -59.97 -33.33 71.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.79 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.484 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 62.5 m-85 -97.29 -5.57 36.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.931 0.396 . . . . 0.0 110.712 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.01 26.42 53.16 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.31 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.502 HD12 HD22 ' A' ' 71' ' ' LEU . 52.7 mt -70.6 113.46 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.156 0.503 . . . . 0.0 110.558 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 t -103.38 -168.43 1.51 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.133 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 40.6 tt0 -78.0 151.03 33.79 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 70.9 22.15 4.78 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.615 0.721 . . . . 0.0 109.85 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -75.96 126.31 30.76 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.514 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.491 ' HG2' ' HE3' ' A' ' 21' ' ' LYS . 60.6 mt-10 -85.78 99.63 11.48 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.41 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.2 mm -84.75 111.91 21.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.427 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 t -91.54 112.18 25.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.779 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 43.3 t -98.8 109.94 25.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.188 0.518 . . . . 0.0 110.184 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.497 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 39.3 m-85 -90.91 109.49 20.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.253 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.403 HD22 HG21 ' A' ' 50' ' ' THR . 16.8 mt -82.95 108.33 16.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.126 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -82.37 -4.96 58.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.99 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.4 t -81.99 78.2 8.72 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.886 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.4 pt -66.87 -33.32 62.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.875 174.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -75.94 97.36 3.96 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 170.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -83.67 104.37 13.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.687 0.756 . . . . 0.0 112.398 -170.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -145.14 -158.3 0.88 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.586 -1.188 . . . . 0.0 108.418 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -84.61 -71.72 0.5 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 174.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.442 ' HA ' ' NH2' ' A' ' 54' ' ' ARG . 32.9 t70 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.071 -0.966 . . . . 0.0 109.039 178.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.429 ' HA2' ' OG ' ' A' ' 38' ' ' SER . . . 162.24 130.94 1.16 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.836 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -158.13 163.55 37.48 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.476 0.311 . . . . 0.0 110.452 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -112.75 88.36 2.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.32 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -82.51 97.46 8.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.204 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -74.19 115.76 14.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.032 0.444 . . . . 0.0 110.059 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -116.67 153.02 33.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -142.79 86.13 1.92 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 170.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -66.06 118.25 9.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.427 -171.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -77.29 -18.39 57.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.722 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.97 160.7 27.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.269 176.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.36 102.14 2.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.066 0.46 . . . . 0.0 110.285 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 p -127.16 136.65 60.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.986 -177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -118.69 145.22 45.68 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 175.522 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -67.32 137.48 56.08 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.119 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -99.93 162.39 3.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.748 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.607 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 67.2 m80 -106.75 108.09 19.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.245 -178.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.8 m -97.12 146.05 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.688 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.0 m -103.08 112.33 25.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.406 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.9 t -94.61 119.16 42.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.635 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.768 ' HD2' ' HG2' ' A' ' 81' ' ' GLU . 39.8 mtpt -99.65 107.24 19.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.997 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.529 ' HZ ' ' SD ' ' A' ' 55' ' ' MET . 1.1 m-85 -115.05 150.72 44.72 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.385 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.461 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 15.9 Cg_endo -60.31 -24.95 79.03 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.381 2.054 . . . . 0.0 110.88 170.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 m -72.21 -50.76 24.98 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.397 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -169.66 173.98 6.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.872 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -123.71 126.05 45.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 175.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -142.38 167.61 21.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.808 0.337 . . . . 0.0 111.488 -174.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -110.77 141.24 44.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.541 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.0 t -127.73 142.96 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.369 -0.378 . . . . 0.0 109.983 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.607 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 46.7 mt-10 -94.85 120.25 34.76 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.379 0.609 . . . . 0.0 110.344 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.548 HG11 HD12 ' A' ' 40' ' ' LEU . 11.5 m -136.96 152.17 28.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.309 -178.287 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.521 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 11.4 t70 -75.12 155.82 36.65 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.486 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -70.39 -33.24 71.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.217 0.532 . . . . 0.0 110.235 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.7 p -93.9 13.63 22.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.35 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 24.5 tt0 -73.58 141.99 46.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.467 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.9 p -85.45 154.57 21.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.615 0.245 . . . . 0.0 111.074 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.605 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 60.9 t -58.61 -29.95 40.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.07 0.462 . . . . 0.0 110.643 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.602 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 7.8 t -62.15 -42.06 98.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.498 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.1 m -71.9 -33.64 68.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.008 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 71' ' ' LEU . 11.6 tp -60.43 -52.2 66.22 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.854 178.044 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -57.68 -44.52 85.84 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.942 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.498 ' O ' HG13 ' A' ' 46' ' ' ILE . 23.3 t70 -56.6 -48.39 77.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.977 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.485 ' NZ ' ' HA ' ' A' ' 31' ' ' VAL . 93.8 mttt -59.35 -48.56 81.16 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.42 179.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.3 mt -61.14 -38.07 78.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.598 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -64.06 -29.92 71.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.387 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 42' ' ' ASP . 83.7 mt -75.67 -37.0 35.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.994 0.426 . . . . 0.0 110.615 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -78.79 -51.53 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.4 141.36 32.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.916 -177.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -81.89 40.48 0.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.191 0.52 . . . . 0.0 110.883 -175.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.5 m -116.64 117.56 37.79 Favored Pre-proline 0 N--CA 1.447 -0.594 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.814 -178.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.526 ' HD2' ' HD2' ' A' ' 54' ' ' ARG . 72.2 Cg_exo -51.06 141.87 36.36 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.316 2.677 . . . . 0.0 112.451 173.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.38 -28.44 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.649 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -65.46 -20.32 66.31 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HD2' ' HD2' ' A' ' 51' ' ' PRO . 99.1 mtt180 -91.34 -40.25 11.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.883 0.373 . . . . 0.0 111.075 -176.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.529 ' SD ' ' HZ ' ' A' ' 22' ' ' PHE . 26.5 ptt? -93.04 123.87 36.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.904 -174.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -106.56 133.69 50.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.954 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.2 mt -93.35 128.49 39.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.535 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 77.4 m-85 -128.59 139.48 52.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.71 176.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.463 ' CD2' HG12 ' A' ' 76' ' ' ILE . 33.7 t80 -137.21 115.71 11.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.21 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.7 p 52.83 32.3 12.11 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.503 0.721 . . . . 0.0 111.78 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.81 0.57 83.59 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.919 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.1 mt -91.3 126.43 43.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -81.51 117.6 22.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.121 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.2 mt -82.54 75.57 9.44 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.62 -21.3 18.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.008 -175.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' HB2' ' CD ' ' A' ' 69' ' ' ARG . 69.3 m-20 -98.25 112.35 24.37 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.337 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.605 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 15.8 m-20 -76.27 -20.37 57.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.714 -175.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -87.48 -8.85 55.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.0 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.472 ' HD3' ' OH ' ' A' ' 74' ' ' TYR . 14.3 mtp180 -81.94 151.7 27.1 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 120.906 0.384 . . . . 0.0 110.248 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.579 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 2.9 m-20 -85.79 158.26 20.04 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.158 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.657 HD11 HD13 ' A' ' 40' ' ' LEU . 74.6 mt -65.77 -34.88 79.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.883 0.373 . . . . 0.0 110.826 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -64.74 -27.57 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.997 178.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.579 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 11.2 mm-40 -57.93 -43.62 86.4 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.083 0.468 . . . . 0.0 110.264 177.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.472 ' OH ' ' HD3' ' A' ' 69' ' ' ARG . 90.6 m-85 -78.97 -10.75 59.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.874 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.86 30.77 22.62 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.987 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.463 HG12 ' CD2' ' A' ' 59' ' ' TYR . 49.7 mt -79.11 113.71 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.032 0.444 . . . . 0.0 110.729 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.5 t -106.51 -171.39 1.88 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.522 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.461 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 42.1 tt0 -71.19 149.58 46.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.669 0.271 . . . . 0.0 110.484 178.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.0 t80 66.61 26.41 9.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.799 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 p -74.28 125.14 27.8 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.226 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.768 ' HG2' ' HD2' ' A' ' 21' ' ' LYS . 30.4 tt0 -90.73 106.19 18.34 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.206 0.527 . . . . 0.0 110.005 -176.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.0 mm -90.52 112.73 25.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.004 -178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.2 t -88.48 114.87 27.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.673 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.425 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 62.0 t -92.22 112.16 25.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.176 0.512 . . . . 0.0 110.624 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.535 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 51.9 m-85 -99.51 121.32 40.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.646 176.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 55' ' ' MET . 41.4 mt -88.8 145.8 25.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.965 0.412 . . . . 0.0 110.655 -177.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.682 ' HE2' ' HA ' ' A' ' 87' ' ' LYS . 11.0 mmpt? -73.38 -170.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.092 176.133 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.2 m -69.81 103.89 2.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.027 0.442 . . . . 0.0 109.837 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 37.2 pt -109.68 164.32 6.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.593 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -83.62 151.71 25.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.246 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -73.31 147.34 44.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.722 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.68 168.47 18.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.645 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.08 162.06 41.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.493 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.747 -0.644 . . . . 0.0 109.997 178.236 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.498 ' HA ' HD11 ' A' ' 46' ' ' ILE . 24.8 ttt . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.24 -137.58 15.17 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.973 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -128.03 129.34 46.53 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -86.72 145.03 26.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.282 0.563 . . . . 0.0 112.513 -174.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -106.32 82.69 1.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.264 -0.88 . . . . 0.0 108.664 168.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -152.16 80.99 1.26 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.28 -171.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.8 t60 177.3 28.58 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.595 174.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -100.28 28.38 5.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.004 0.43 . . . . 0.0 111.694 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -138.65 140.98 39.07 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.458 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -92.56 143.87 25.9 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 66.42 25.24 10.31 Favored 'General case' 0 N--CA 1.462 0.174 0 O-C-N 123.685 0.615 . . . . 0.0 109.972 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.76 -176.47 5.84 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.046 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.89 138.32 22.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.981 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -100.61 129.96 46.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.845 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.57 138.44 58.41 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.897 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.7 pt -93.76 143.74 10.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 121.148 0.499 . . . . 0.0 109.842 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.63 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 77.8 m80 -95.19 103.25 15.1 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.005 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -90.89 143.54 11.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -177.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.408 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 26.3 m -93.12 109.99 21.48 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.064 177.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.43 113.75 28.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.16 0.505 . . . . 0.0 110.437 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -97.74 108.64 21.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.599 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -102.78 153.02 38.52 Favored Pre-proline 0 C--N 1.317 -0.847 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 170.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -58.78 -25.12 74.81 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.443 2.095 . . . . 0.0 111.554 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 m -82.04 -54.66 5.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.052 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -153.68 172.02 17.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.05 0.452 . . . . 0.0 111.328 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -120.93 139.34 53.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.991 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -153.46 162.98 40.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.454 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 m -106.37 142.77 35.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.9 t -127.96 140.51 48.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.271 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.63 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 50.6 mt-10 -87.38 119.55 27.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.58 0.705 . . . . 0.0 110.488 175.344 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.581 HG11 HD12 ' A' ' 40' ' ' LEU . 35.7 m -132.67 147.16 31.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.423 177.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 11.8 t70 -70.0 155.57 40.4 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -76.27 -19.29 58.45 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.102 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.0 p -100.57 14.07 32.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.049 173.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 3.9 tp10 -60.14 133.76 56.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.239 175.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 4.7 p -72.23 152.86 41.92 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.38 175.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.555 HG12 ' HE3' ' A' ' 41' ' ' LYS . 40.7 t -60.97 -31.21 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.659 0.743 . . . . 0.0 109.317 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 t -61.09 -40.18 92.72 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.594 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.412 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 50.0 m -79.74 -25.29 41.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.474 -175.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.588 HD23 HD13 ' A' ' 57' ' ' LEU . 16.5 tp -60.55 -52.15 66.42 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 173.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.555 ' HE3' HG12 ' A' ' 37' ' ' VAL . 82.1 mttt -63.99 -39.73 94.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.535 176.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' HG13 ' A' ' 46' ' ' ILE . 18.1 t70 -56.47 -50.63 71.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.38 -176.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -71.65 -33.01 68.54 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 40' ' ' LEU . 77.0 mt -63.0 -35.73 72.77 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 172.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -68.92 -29.03 67.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.894 0.378 . . . . 0.0 111.26 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.498 HD11 ' HA ' ' A' ' 1' ' ' MET . 82.9 mt -75.37 -40.63 42.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.802 0.335 . . . . 0.0 110.532 178.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.5 t -77.56 -51.27 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.207 0.527 . . . . 0.0 110.814 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -101.21 148.38 25.17 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.153 -176.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -87.3 13.33 9.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.965 0.412 . . . . 0.0 111.493 -173.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.445 HG21 ' HB3' ' A' ' 55' ' ' MET . 7.3 m -80.56 129.02 70.35 Favored Pre-proline 0 N--CA 1.446 -0.626 0 CA-C-O 121.064 0.459 . . . . 0.0 111.076 -178.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.76 135.55 69.94 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.982 2.455 . . . . 0.0 112.053 172.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 41' ' ' LYS . 53.1 mt -61.12 -37.17 76.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.089 -176.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -69.19 -14.7 63.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -107.53 -30.63 8.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.445 ' HB3' HG21 ' A' ' 50' ' ' THR . 26.0 ptt? -87.94 114.27 24.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.277 0.56 . . . . 0.0 110.646 176.188 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -103.11 134.45 46.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.501 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.588 HD13 HD23 ' A' ' 40' ' ' LEU . 18.6 mt -94.32 128.3 40.74 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.111 -176.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.603 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 48.5 m-85 -119.26 129.62 55.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.015 0.435 . . . . 0.0 111.045 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -126.01 120.45 30.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.792 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t 65.23 -92.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.54 0.525 . . . . 0.0 109.717 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.93 19.79 3.27 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 174.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 42.1 mt -120.57 132.32 70.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.621 -0.29 . . . . 0.0 110.432 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.603 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 15.3 pt-20 -85.36 138.65 32.14 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 171.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.4 mt -82.08 73.77 9.1 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.627 0.727 . . . . 0.0 110.17 -174.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.74 -43.91 52.5 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.063 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.581 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . 8.4 m-20 -63.79 119.57 10.21 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.009 0.433 . . . . 0.0 109.948 178.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -96.1 -27.77 14.92 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.944 -174.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -86.52 -3.76 59.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.018 -173.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.581 ' HG3' ' HB3' ' A' ' 66' ' ' ASP . 13.4 mtp180 -91.24 168.47 11.58 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.835 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 8.7 m120 -98.55 160.54 14.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.268 177.719 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.577 HD11 HD13 ' A' ' 40' ' ' LEU . 72.2 mt -63.33 -31.98 73.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.707 0.289 . . . . 0.0 111.516 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -62.44 -27.71 69.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.077 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -58.96 -33.28 70.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.747 0.308 . . . . 0.0 111.489 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.498 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 89.7 m-85 -89.69 -2.82 58.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.134 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.18 31.5 59.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.915 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.406 HG13 ' HB2' ' A' ' 74' ' ' TYR . 53.5 mt -71.14 128.48 34.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.417 0.627 . . . . 0.0 111.319 -177.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.0 t -103.86 -175.48 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.998 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.437 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 29.9 tt0 -85.63 146.86 26.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.648 0.261 . . . . 0.0 110.555 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.9 t80 65.67 25.91 11.51 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.625 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -70.52 134.68 47.93 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.852 176.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.408 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 35.3 tt0 -85.51 99.85 11.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.234 0.54 . . . . 0.0 110.798 -176.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.4 mm -90.45 108.09 19.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.506 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.2 t -90.68 115.25 29.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.862 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.54 103.73 14.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.32 0.581 . . . . 0.0 110.514 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.44 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 34.8 m-85 -91.31 114.53 27.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.055 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.2 mt -80.63 124.82 29.31 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.037 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -82.46 4.47 24.16 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.527 0.679 . . . . 0.0 109.914 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.6 t -146.44 118.33 8.17 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.852 178.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.645 HD13 ' H ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -107.84 1.33 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.423 0.63 . . . . 0.0 109.938 178.221 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -66.05 133.78 51.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.166 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 73.43 12.05 4.77 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.751 0.657 . . . . 0.0 112.567 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.91 99.19 7.46 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 172.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -127.6 113.68 16.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.218 -173.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.329 174.832 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.6 mtm . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.689 0.281 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 96.34 170.81 34.83 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.656 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -130.89 133.77 46.18 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.34 130.93 38.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.15 0.5 . . . . 0.0 110.153 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -90.6 136.5 33.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.508 -173.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -156.99 90.9 1.16 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.527 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -65.06 116.21 6.23 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 176.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -135.06 139.71 44.98 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -170.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.6 p -155.45 97.91 1.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.352 173.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -130.31 -24.06 2.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.104 -176.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.41 172.98 7.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.658 -0.247 . . . . 0.0 110.515 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.41 59.48 3.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.302 0.573 . . . . 0.0 110.699 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.05 127.68 54.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.251 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -85.49 104.28 15.13 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -69.22 135.46 50.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.621 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.5 pt -89.05 145.39 7.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.827 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.441 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 61.5 m80 -91.24 106.75 18.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.789 177.136 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -95.35 145.21 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.822 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.4 HG21 HE21 ' A' ' 26' ' ' GLN . 82.3 m -100.51 111.09 23.3 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.063 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.34 121.77 43.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.339 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -100.55 101.56 12.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.438 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.445 ' CD1' ' HD2' ' A' ' 23' ' ' PRO . 2.5 m-85 -105.17 155.96 36.93 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.903 175.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.445 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 16.0 Cg_endo -59.2 -26.02 80.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.236 1.957 . . . . 0.0 111.133 172.428 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.8 m -68.02 -58.91 3.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.482 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -167.23 173.29 9.13 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.163 0.506 . . . . 0.0 111.114 -174.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.4 HE21 HG21 ' A' ' 19' ' ' THR . 45.4 tt0 -102.71 126.29 49.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.307 174.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -143.95 163.4 33.58 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.014 -0.275 . . . . 0.0 110.843 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -111.96 143.04 43.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.355 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.1 t -129.71 146.19 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.304 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.86 118.14 28.35 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.036 0.446 . . . . 0.0 110.237 174.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.522 HG11 ' CD1' ' A' ' 40' ' ' LEU . 19.6 m -135.09 152.61 32.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.815 177.124 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -76.04 150.75 37.29 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -75.88 -22.27 56.31 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.314 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 p -98.03 14.27 28.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.237 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' A' ' 39' ' ' SER . 5.4 tp10 -72.04 146.39 47.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.411 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 1.9 p -82.41 156.28 24.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.271 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.67 -35.96 72.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.868 0.366 . . . . 0.0 110.495 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 t -57.76 -41.2 81.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.266 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.426 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 16.6 m -79.44 -18.45 52.13 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.903 -177.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.812 HD23 HD13 ' A' ' 57' ' ' LEU . 19.0 tp -73.09 -52.44 14.29 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.617 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.32 -33.12 75.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.712 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' O ' HG13 ' A' ' 46' ' ' ILE . 32.4 t70 -54.85 -50.49 68.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.313 175.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HD2' HG12 ' A' ' 31' ' ' VAL . 59.9 mttp -61.81 -47.2 86.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.148 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 40' ' ' LEU . 65.8 mt -60.05 -39.44 80.35 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.182 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.373 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -66.25 -30.38 70.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.897 0.38 . . . . 0.0 111.135 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 42' ' ' ASP . 90.4 mt -71.97 -34.66 51.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.998 0.427 . . . . 0.0 110.699 177.278 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 68.3 t -81.15 -56.07 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.76 -174.62 4.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.457 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -102.27 -20.18 14.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.682 0.277 . . . . 0.0 111.096 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.592 HG21 HD22 ' A' ' 86' ' ' LEU . 10.5 m -62.27 128.76 91.6 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 121.363 0.601 . . . . 0.0 112.366 -173.386 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.22 146.58 81.17 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.31 2.673 . . . . 0.0 112.287 172.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.91 -32.15 54.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.34 -15.76 59.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.734 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -98.0 -31.23 12.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.943 0.402 . . . . 0.0 111.387 -172.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.492 ' HB3' HG21 ' A' ' 50' ' ' THR . 23.2 ptt? -96.97 133.14 42.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.077 0.465 . . . . 0.0 111.562 -178.251 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.489 ' HB2' ' HD3' ' A' ' 87' ' ' LYS . 4.0 tp-100 -114.17 143.1 45.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.859 177.143 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.812 HD13 HD23 ' A' ' 40' ' ' LEU . 42.6 mt -99.74 130.19 45.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.529 -176.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.533 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 82.6 m-85 -123.68 123.11 39.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.957 0.408 . . . . 0.0 110.83 178.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -116.97 110.76 18.69 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.259 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.9 m 61.3 26.86 16.63 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.1 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.68 -15.62 60.69 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.398 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.8 mt -83.78 123.26 38.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.648 0.261 . . . . 0.0 110.846 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -76.45 115.68 16.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.014 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.7 mt -82.0 79.35 8.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.809 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.38 -32.47 19.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.14 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.409 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 4.5 m-20 -68.36 100.73 1.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.249 0.547 . . . . 0.0 110.511 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -72.52 -33.94 67.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.055 -174.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -80.6 -5.21 56.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.552 -175.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.04 160.45 18.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.121 0.486 . . . . 0.0 111.995 -175.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.512 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 3.5 m-20 -91.83 158.9 16.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.936 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.745 HD21 HD22 ' A' ' 40' ' ' LEU . 81.9 mt -69.26 -33.06 72.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.745 0.307 . . . . 0.0 111.265 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -63.1 -28.1 69.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.8 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.512 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 36.6 mm-40 -55.56 -36.1 66.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.136 0.493 . . . . 0.0 110.918 176.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.525 ' HB2' HG13 ' A' ' 76' ' ' ILE . 47.2 m-85 -93.68 3.9 54.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.775 -176.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.36 17.59 79.75 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.605 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.525 HG13 ' HB2' ' A' ' 74' ' ' TYR . 64.7 mt -66.7 135.74 27.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.025 0.441 . . . . 0.0 111.35 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.4 t -129.83 -174.18 3.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.64 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.441 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 39.2 tt0 -69.12 152.09 45.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.686 0.279 . . . . 0.0 110.94 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.5 t80 71.47 15.5 6.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.673 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.3 p -75.6 141.87 42.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.954 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -101.79 109.43 21.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.147 0.498 . . . . 0.0 110.352 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.9 mm -92.88 113.87 28.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.562 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -88.07 119.72 35.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.625 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.19 108.82 24.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.07 0.462 . . . . 0.0 110.994 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.533 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 45.1 m-85 -96.73 133.22 41.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.596 174.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.592 HD22 HG21 ' A' ' 50' ' ' THR . 22.8 mt -96.09 141.01 29.98 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.656 -176.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.516 ' HB3' ' NZ ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -150.88 123.32 8.42 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.96 175.843 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.2 m -83.72 96.83 8.83 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.423 ' O ' HD12 ' A' ' 89' ' ' ILE . 2.6 pp -62.14 140.25 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.285 178.241 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -74.95 94.87 2.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -84.13 112.43 20.23 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.967 -173.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.36 155.27 42.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.639 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -107.07 6.79 29.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.019 0.438 . . . . 0.0 110.616 -177.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.079 179.556 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.9 mmm . . . . . 0 N--CA 1.479 0.975 0 CA-C-O 120.787 0.327 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.17 102.59 0.86 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.586 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -119.88 134.25 55.3 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -99.93 162.94 12.67 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.793 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -85.96 -76.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.677 0.275 . . . . 0.0 110.751 -174.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 52.44 77.3 0.16 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.624 0.726 . . . . 0.0 111.693 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -148.6 138.73 22.38 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.541 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -93.38 19.01 8.78 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.276 0.56 . . . . 0.0 110.397 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -76.76 88.81 3.4 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.525 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -76.35 97.17 4.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.358 0.599 . . . . 0.0 111.392 -176.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.72 97.07 7.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.659 174.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.0 53.57 2.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.511 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.79 158.38 2.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -83.17 98.93 9.62 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 121.275 0.56 . . . . 0.0 110.928 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.578 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -76.8 138.08 39.64 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.308 -0.86 . . . . 0.0 108.703 175.029 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.8 pt -98.45 148.39 6.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-O 121.424 0.631 . . . . 0.0 111.795 -169.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -91.91 109.79 21.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.836 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -99.84 133.98 40.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -92.73 109.78 21.21 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -92.58 117.25 35.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.561 -176.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -99.71 105.64 17.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.242 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -99.25 154.24 37.4 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.056 174.247 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.28 -18.46 52.56 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.619 2.213 . . . . 0.0 111.877 174.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.9 m -85.05 -67.46 0.8 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.215 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.64 174.51 11.37 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.956 0.408 . . . . 0.0 110.759 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -110.81 139.99 45.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.55 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -154.17 164.21 38.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.622 0.249 . . . . 0.0 110.417 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -110.05 140.86 43.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.836 0.351 . . . . 0.0 110.386 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.4 t -125.41 143.49 38.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -98.11 117.42 32.43 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 121.134 0.492 . . . . 0.0 110.53 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.615 HG11 HD12 ' A' ' 40' ' ' LEU . 26.1 m -128.64 159.31 40.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.502 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' HA ' ' HG3' ' A' ' 15' ' ' LYS . 8.5 t70 -69.44 146.39 52.03 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -75.27 -14.76 60.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.883 0.373 . . . . 0.0 111.117 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.5 p -103.81 14.57 30.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.359 0.599 . . . . 0.0 110.295 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 10.3 tt0 -75.14 152.03 38.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.211 -176.728 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.496 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 24.9 p -89.88 159.51 16.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.563 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 57.9 t -63.64 -34.32 67.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.084 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.543 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 9.3 t -65.91 -33.91 76.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.477 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.1 t -79.32 -24.13 43.02 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.64 HD13 HD11 ' A' ' 71' ' ' LEU . 15.7 tp -69.79 -52.61 23.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.944 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HB3' HG23 ' A' ' 52' ' ' ILE . 94.9 mttt -62.03 -30.25 70.84 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.056 176.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.423 ' O ' HG13 ' A' ' 46' ' ' ILE . 23.3 t70 -60.08 -50.5 73.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.937 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.56 ' HD2' HG12 ' A' ' 31' ' ' VAL . 58.9 mttp -64.69 -41.41 96.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.3 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.4 mt -61.0 -33.88 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.481 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -69.62 -30.41 68.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.122 177.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 42' ' ' ASP . 74.8 mt -77.58 -36.15 22.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.978 0.418 . . . . 0.0 110.771 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.1 t -81.51 -51.58 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -95.88 154.19 17.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.419 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.47 52.07 2.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.006 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.8 m -137.6 120.81 11.49 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.1 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -62.21 149.6 89.98 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.897 2.398 . . . . 0.0 111.844 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 41' ' ' LYS . 68.5 mt -63.64 -29.49 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.332 0.586 . . . . 0.0 110.534 -177.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -73.63 -10.5 59.76 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.47 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.76 ' HG3' ' HB2' ' A' ' 88' ' ' SER . 0.2 OUTLIER -103.81 -22.26 13.55 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -178.692 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -115.23 145.57 42.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.971 0.415 . . . . 0.0 111.731 -174.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -123.57 141.29 52.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.762 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.8 mt -98.67 134.23 41.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.787 0.327 . . . . 0.0 110.772 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -122.24 129.37 52.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.673 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -129.43 116.88 19.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.172 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.6 t 61.85 27.89 17.03 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.486 0.66 . . . . 0.0 110.189 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.1 -15.58 60.66 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.11 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 61.8 mt -80.62 126.6 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.623 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -79.1 116.33 19.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.472 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.9 mt -79.27 74.74 5.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.368 0.604 . . . . 0.0 110.673 -176.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.4 -24.01 22.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.081 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.5 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 70.2 m-20 -78.89 94.11 5.15 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 177.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.563 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 33.4 m-20 -71.12 -32.56 69.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.245 0.545 . . . . 0.0 110.947 -177.157 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -72.04 -19.42 61.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.429 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -72.98 153.62 40.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.084 0.469 . . . . 0.0 111.511 -177.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.574 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 3.9 m-20 -89.7 154.75 19.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.772 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.64 HD11 HD13 ' A' ' 40' ' ' LEU . 55.9 mt -64.03 -39.24 93.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.913 0.387 . . . . 0.0 110.823 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -61.52 -27.49 68.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.491 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.574 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 38.4 mt-10 -65.48 -35.87 82.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.614 0.245 . . . . 0.0 110.91 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.5 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 98.1 m-85 -77.17 -28.1 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.33 0.586 . . . . 0.0 109.93 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.26 9.79 28.86 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.274 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.634 ' HB ' ' HB3' ' A' ' 71' ' ' LEU . 62.6 mt -64.92 124.35 19.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.84 0.353 . . . . 0.0 110.218 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.3 t -144.21 -162.86 1.56 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.55 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' HG2' ' HD1' ' A' ' 79' ' ' PHE . 33.2 tt0 -55.36 128.46 34.32 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.388 0.675 . . . . 0.0 111.389 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.404 ' HD1' ' HG2' ' A' ' 78' ' ' GLU . 5.9 m-85 68.88 31.27 4.37 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.725 0.641 . . . . 0.0 112.262 176.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.2 p -81.63 141.14 33.95 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 174.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -93.77 120.38 33.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.052 0.453 . . . . 0.0 110.51 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.7 mm -110.49 113.91 45.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.789 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.6 t -97.32 127.25 49.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.306 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 56.8 t -104.98 112.04 36.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.977 0.418 . . . . 0.0 110.915 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -101.82 137.65 39.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.781 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.0 mt -99.49 119.76 38.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.741 0.781 . . . . 0.0 110.717 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -89.96 -11.7 40.92 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.077 -177.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.76 ' HB2' ' HG3' ' A' ' 54' ' ' ARG . 28.1 m -145.66 109.8 4.92 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.047 175.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.448 ' O ' HD12 ' A' ' 89' ' ' ILE . 2.7 pp -88.6 139.14 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.05 0.452 . . . . 0.0 110.98 -177.426 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -108.19 148.0 30.53 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.951 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -119.07 -84.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.358 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.93 -21.29 20.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -177.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -155.27 138.85 16.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.409 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 C--O 1.247 0.962 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.299 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.37 156.33 28.75 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.872 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -126.05 24.85 6.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.998 0.428 . . . . 0.0 110.758 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -68.94 118.68 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.1 p-80 -76.85 84.82 3.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.741 0.781 . . . . 0.0 110.549 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -146.59 104.2 3.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.579 176.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -122.38 101.86 7.76 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.606 0.717 . . . . 0.0 110.074 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -143.77 130.65 20.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.069 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.9 m -136.49 126.21 25.56 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.09 0.471 . . . . 0.0 110.786 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -82.38 -21.84 35.68 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.288 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.08 133.76 34.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.792 175.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.48 115.15 23.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.873 0.368 . . . . 0.0 110.957 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.1 p -152.12 141.13 14.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.891 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -101.23 123.48 45.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.815 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -71.95 139.85 48.89 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.8 pt -97.52 145.86 8.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.347 0.594 . . . . 0.0 111.452 -171.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.648 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 73.7 m80 -98.94 102.68 14.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.3 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.1 m -86.74 134.85 26.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.062 0.458 . . . . 0.0 110.538 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.504 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 29.1 m -90.85 110.03 21.24 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.1 t -92.67 112.06 25.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.932 0.396 . . . . 0.0 110.211 -176.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.639 ' HE2' ' HB3' ' A' ' 81' ' ' GLU . 66.8 mttm -97.81 108.8 21.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.272 -177.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -101.5 154.4 37.27 Favored Pre-proline 0 C--N 1.319 -0.756 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 172.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.4 -15.01 45.77 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.505 2.137 . . . . 0.0 112.526 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.5 m -116.88 -11.3 10.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -165.79 173.28 10.81 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.841 0.353 . . . . 0.0 110.927 -176.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.504 ' OE1' ' HG2' ' A' ' 21' ' ' LYS . 29.8 tt0 -148.48 126.7 12.17 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -141.14 175.23 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.313 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -118.38 143.58 46.54 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.1 t -125.6 136.21 61.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.648 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 46.2 mt-10 -93.22 113.67 25.94 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.577 0.703 . . . . 0.0 110.369 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.617 HG11 HD12 ' A' ' 40' ' ' LEU . 28.3 m -131.45 148.53 32.67 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.833 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -68.99 161.1 29.67 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.195 0.521 . . . . 0.0 110.965 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HE ' ' HB2' ' A' ' 33' ' ' ARG . 7.5 ttm180 -73.53 -26.43 60.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.405 0.621 . . . . 0.0 110.242 -177.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.3 p -99.33 13.85 31.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.522 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.12 143.09 54.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.864 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.0 p -78.86 152.18 31.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.747 0.308 . . . . 0.0 110.537 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.588 HG12 ' HE3' ' A' ' 41' ' ' LYS . 22.0 t -60.71 -32.96 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.07 0.462 . . . . 0.0 110.107 177.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.527 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 2.2 t -69.2 -31.8 70.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.271 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.1 t -79.17 -30.39 43.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.691 HD23 HD13 ' A' ' 57' ' ' LEU . 20.5 tp -59.1 -52.45 65.67 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.336 173.752 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.588 ' HE3' HG12 ' A' ' 37' ' ' VAL . 87.8 mttt -56.62 -45.59 81.41 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.966 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.487 ' O ' HG13 ' A' ' 46' ' ' ILE . 33.5 t70 -62.14 -45.02 95.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.022 -176.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -64.7 -40.35 95.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.412 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 40' ' ' LEU . 77.4 mt -63.63 -37.04 78.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.891 0.377 . . . . 0.0 110.2 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -64.29 -28.68 69.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.993 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.5 mt -75.42 -31.66 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.962 0.41 . . . . 0.0 110.332 177.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.2 t -82.23 -54.48 9.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.114 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.8 153.69 18.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.686 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -83.64 -1.93 55.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.828 0.347 . . . . 0.0 111.54 -175.368 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.483 HG23 ' HD3' ' A' ' 54' ' ' ARG . 97.6 m -73.27 126.23 90.31 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.139 0.495 . . . . 0.0 111.676 -178.592 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.574 ' HG2' ' HB2' ' A' ' 54' ' ' ARG . 8.7 Cg_endo -55.33 148.47 50.96 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.072 2.515 . . . . 0.0 112.334 173.442 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.61 -25.85 37.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.78 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 3.4 mptp? -75.74 -23.23 56.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.829 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.574 ' HB2' ' HG2' ' A' ' 51' ' ' PRO . 36.7 ttt180 -88.53 -29.46 20.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.006 -174.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.424 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 25.8 ptt? -106.78 134.8 49.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.008 -175.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 -119.14 133.16 55.94 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.948 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.691 HD13 HD23 ' A' ' 40' ' ' LEU . 22.3 mt -86.27 131.82 34.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.5 -176.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 59.5 m-85 -128.78 123.59 33.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.032 0.444 . . . . 0.0 110.901 176.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -107.21 126.76 52.83 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 174.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.4 p 55.59 -95.85 0.06 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.826 0.704 . . . . 0.0 110.835 -173.027 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -133.98 24.01 3.66 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.65 132.43 71.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.275 -0.463 . . . . 0.0 110.311 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -83.23 140.32 32.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.277 0.56 . . . . 0.0 110.818 -179.542 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.625 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 49.7 mt -93.61 73.39 4.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.052 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.52 -30.05 37.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.429 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.76 156.97 31.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.628 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.527 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 24.6 m-20 -114.68 -33.72 5.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.986 176.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -79.07 -14.24 59.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.856 -176.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 37' ' ' VAL . 2.5 mmp_? -77.19 153.56 33.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.983 0.421 . . . . 0.0 110.96 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -102.63 150.87 23.0 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.333 175.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.68 HD11 HD13 ' A' ' 40' ' ' LEU . 75.7 mt -59.21 -38.97 81.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.751 -176.066 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.42 ' HB3' ' HG2' ' A' ' 33' ' ' ARG . 10.6 p30 -62.6 -28.13 69.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.53 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -67.37 -26.87 66.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.935 0.397 . . . . 0.0 110.81 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -83.58 -6.36 59.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.832 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.57 21.91 52.33 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.512 -176.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.1 mt -79.36 137.44 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.347 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.4 t -138.46 -171.01 2.95 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.329 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.413 ' HG3' ' HD2' ' A' ' 79' ' ' PHE . 7.9 tp10 -54.58 128.96 34.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 122.986 0.514 . . . . 0.0 111.598 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.537 ' HA ' ' O ' ' A' ' 17' ' ' HIS . 33.5 m-85 57.41 59.59 3.25 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.202 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.1 p -94.54 131.31 40.41 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.588 170.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.639 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 51.4 mt-10 -84.63 117.6 23.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.168 0.509 . . . . 0.0 110.544 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.4 mm -104.12 117.27 49.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.658 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.508 HG22 ' HD2' ' A' ' 21' ' ' LYS . 33.3 t -89.34 119.75 36.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 61.8 t -102.34 106.89 20.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.104 0.478 . . . . 0.0 110.645 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.494 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 67.8 m-85 -90.88 130.53 36.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.599 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.8 mt -97.19 143.51 27.92 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.878 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -82.06 50.24 1.53 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.725 0.774 . . . . 0.0 109.917 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 m -83.99 94.33 8.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.886 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.3 pt -92.59 7.15 5.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.569 0.699 . . . . 0.0 109.704 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -111.72 117.4 32.77 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.08 -177.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -66.44 -45.29 80.31 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 172.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.15 76.48 9.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.245 172.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -84.68 159.41 20.56 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.126 -175.319 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.306 -0.854 . . . . 0.0 109.949 175.418 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.0 mtt . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.8 100.16 2.29 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.013 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -81.85 102.32 10.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.331 0.586 . . . . 0.0 110.262 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -80.93 82.92 6.78 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.172 -176.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -90.73 29.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.471 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -81.76 99.44 8.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.589 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -101.48 135.65 42.63 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -76.99 106.65 8.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.123 0.487 . . . . 0.0 111.07 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.5 t -86.13 169.98 12.61 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 173.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.73 0.85 28.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.666 0.269 . . . . 0.0 110.698 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.96 11.85 8.55 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.834 175.345 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.01 56.95 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 176.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -59.37 140.22 17.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.496 -172.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.521 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 3.4 mmp_? -137.03 94.89 3.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.415 177.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -61.5 154.36 24.83 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.123 -1.399 . . . . 0.0 111.931 -171.789 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.513 HG23 ' HG2' ' A' ' 33' ' ' ARG . 9.2 pt -110.5 154.28 12.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.16 170.345 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.49 ' H ' ' CB ' ' A' ' 78' ' ' GLU . 0.3 OUTLIER -98.02 84.92 3.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.161 0.505 . . . . 0.0 109.791 -176.818 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.6 m -83.33 138.43 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.84 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.0 m -94.81 110.13 22.03 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.999 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.5 113.94 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.015 0.436 . . . . 0.0 110.046 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.547 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 49.8 mtpt -102.38 99.25 9.3 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.042 -176.145 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.554 ' HE2' HG21 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -99.58 149.98 36.38 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.098 178.826 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.526 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 34.5 Cg_exo -59.24 -24.95 76.41 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.321 2.014 . . . . 0.0 111.454 173.21 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.1 p -80.51 -68.92 0.64 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.332 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -137.4 175.73 9.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.139 0.495 . . . . 0.0 111.061 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -122.11 131.31 53.9 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.604 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -147.75 151.1 35.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.0 110.914 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.51 135.92 44.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.125 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -123.87 144.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.627 0.251 . . . . 0.0 110.712 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -91.46 106.4 18.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.087 0.47 . . . . 0.0 110.32 172.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.55 HG12 ' HE2' ' A' ' 43' ' ' LYS . 22.9 m -123.11 149.01 26.77 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 27.7 t70 -73.71 164.1 27.09 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.276 -0.569 . . . . 0.0 110.494 -178.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.513 ' HG2' HG23 ' A' ' 16' ' ' ILE . 40.1 mtt-85 -74.76 -23.97 58.62 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.781 -176.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.7 p -97.64 13.67 29.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.932 0.396 . . . . 0.0 110.904 177.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.68 143.86 53.31 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.545 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.7 p -88.74 158.97 18.0 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.528 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.613 HG13 HD12 ' A' ' 57' ' ' LEU . 93.2 t -59.53 -37.02 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.475 177.082 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.538 ' OG ' ' HB3' ' A' ' 67' ' ' ASP . 46.3 m -62.75 -44.27 96.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.479 177.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.4 m -79.2 -23.27 43.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.842 0.353 . . . . 0.0 110.287 -175.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.911 HD23 HD13 ' A' ' 57' ' ' LEU . 16.5 tp -64.31 -48.49 75.42 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 173.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.606 ' HG3' HD11 ' A' ' 57' ' ' LEU . 51.7 mtmt -67.13 -32.91 74.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.578 177.59 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.465 ' O ' HG13 ' A' ' 46' ' ' ILE . 22.9 t70 -63.49 -45.42 90.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.971 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.55 ' HE2' HG12 ' A' ' 31' ' ' VAL . 2.7 tptt -55.41 -48.94 73.61 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.528 176.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.554 HG21 ' HE2' ' A' ' 22' ' ' PHE . 75.9 mt -62.15 -42.11 93.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.175 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -62.68 -30.8 71.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.767 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 42' ' ' ASP . 85.2 mt -68.67 -33.41 59.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.905 0.384 . . . . 0.0 110.786 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.5 t -85.21 -51.69 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.153 0.502 . . . . 0.0 110.825 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -83.85 -175.15 5.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.676 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -110.46 -18.8 13.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.188 0.518 . . . . 0.0 110.203 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.1 m -67.33 125.64 91.38 Favored Pre-proline 0 N--CA 1.449 -0.496 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.86 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.777 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 38.6 Cg_exo -58.31 147.73 83.17 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.233 2.622 . . . . 0.0 112.018 173.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.454 HD11 ' HA ' ' A' ' 42' ' ' ASP . 70.2 mt -59.64 -37.61 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.21 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.83 -21.28 66.36 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.777 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 3.8 mpt_? -97.22 -15.84 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -115.31 137.72 51.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.851 0.358 . . . . 0.0 111.321 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -121.46 146.62 46.73 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.911 HD13 HD23 ' A' ' 40' ' ' LEU . 21.9 mt -91.33 133.52 35.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.683 -175.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.615 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 29.0 m-85 -125.27 127.53 46.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.97 0.414 . . . . 0.0 110.579 176.544 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -130.63 114.18 15.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.493 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.5 m 59.81 32.4 21.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.598 175.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.36 -2.59 83.38 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.9 mt -106.11 121.77 58.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.615 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 19.5 pt-20 -81.74 132.95 35.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.447 0.641 . . . . 0.0 110.033 177.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 24.6 mt -86.97 85.15 7.24 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.139 -178.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.28 -35.82 18.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.671 -173.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -78.92 111.4 15.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.22 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.538 ' HB3' ' OG ' ' A' ' 38' ' ' SER . 1.6 m-20 -63.85 -40.3 96.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.364 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -70.75 -6.94 41.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.401 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -79.34 156.03 28.19 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.18 0.514 . . . . 0.0 111.643 -176.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.583 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 12.8 m120 -103.43 158.09 16.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.375 177.582 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.72 HD21 HD22 ' A' ' 40' ' ' LEU . 58.7 mt -66.82 -32.96 74.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.895 0.379 . . . . 0.0 111.387 -178.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -66.44 -27.65 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.628 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.583 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 8.7 mm-40 -65.06 -34.75 79.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.958 0.409 . . . . 0.0 110.553 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -86.69 -22.25 26.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.714 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.61 40.9 5.22 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.254 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.615 HD12 HD22 ' A' ' 71' ' ' LEU . 54.4 mt -88.09 130.98 36.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.721 0.296 . . . . 0.0 110.716 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.4 t -121.34 -172.94 2.51 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.39 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.49 ' CB ' ' H ' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -81.77 27.96 0.43 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.043 0.449 . . . . 0.0 112.141 -174.799 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -141.25 25.29 2.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.525 0.679 . . . . 0.0 109.332 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.1 p -92.22 140.94 29.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.185 -172.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -101.74 98.44 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.058 172.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.6 mm -84.48 99.85 7.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.464 0.649 . . . . 0.0 109.573 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.547 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 39.0 t -85.64 115.46 27.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.91 -176.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.481 HG11 ' CZ ' ' A' ' 22' ' ' PHE . 91.4 t -90.65 113.41 26.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.819 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.41 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 24.5 m-85 -102.83 129.16 49.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.665 176.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.4 mt -99.62 122.87 43.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.932 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -74.32 100.65 3.81 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.0 m -82.95 43.09 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.326 -169.717 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.0 pt -69.8 -22.91 25.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.852 0.834 . . . . 0.0 109.074 170.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -115.82 83.52 1.95 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 169.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 91' ' ' ARG . 21.1 ttm-85 -102.48 125.59 49.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.449 -172.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -149.77 92.31 1.9 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.627 174.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.85 108.56 8.8 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -177.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.1 t70 . . . . . 0 C--O 1.246 0.899 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.684 -179.812 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -100.95 145.55 17.09 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.258 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -77.52 -27.55 51.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.688 0.28 . . . . 0.0 110.457 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -141.12 109.29 5.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.579 0.704 . . . . 0.0 111.45 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -120.13 76.2 1.15 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.819 172.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 62.6 t-80 -86.53 96.48 10.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.971 -173.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -82.04 74.59 9.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.367 0.603 . . . . 0.0 110.882 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -163.84 172.63 13.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.075 -0.966 . . . . 0.0 108.834 177.199 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.6 m -71.5 163.0 28.55 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 171.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -82.71 164.52 20.64 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.229 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.59 146.73 52.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.675 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.1 80.31 8.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.309 0.576 . . . . 0.0 110.144 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.9 p -153.06 150.6 12.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.471 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -100.28 127.24 46.62 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.925 0.393 . . . . 0.0 110.559 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.1 137.98 41.77 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.8 pt -99.74 147.24 7.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.067 -175.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.671 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 72.0 m80 -93.46 99.29 11.8 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.807 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -89.06 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.019 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 m -94.32 109.88 21.68 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.943 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.21 119.61 47.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.918 0.39 . . . . 0.0 110.541 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.683 ' HE2' HG22 ' A' ' 83' ' ' VAL . 38.7 mtmt -107.73 113.02 25.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.391 -178.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.428 ' HE2' ' HG1' ' A' ' 50' ' ' THR . 10.6 m-85 -96.1 160.42 29.97 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 171.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.51 -1.35 3.82 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 122.427 2.085 . . . . 0.0 112.117 177.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.4 m -108.81 -58.45 2.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.81 173.95 12.32 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.806 0.336 . . . . 0.0 111.261 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.2 tt0 -118.74 141.11 48.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.44 -177.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -150.64 173.77 13.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.274 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 m -117.11 142.43 47.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.613 0.244 . . . . 0.0 110.547 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.0 t -125.98 141.25 46.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.16 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.671 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 48.9 mt-10 -90.51 111.55 22.87 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.084 0.468 . . . . 0.0 110.28 175.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.492 HG12 ' HG3' ' A' ' 43' ' ' LYS . 35.7 m -130.59 149.35 33.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.86 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -67.2 152.69 45.28 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.328 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -70.94 -32.23 69.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.415 0.626 . . . . 0.0 109.552 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.5 p -91.67 11.16 25.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.289 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.557 ' HG3' ' HB3' ' A' ' 39' ' ' SER . 4.9 tp10 -66.9 139.99 57.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.914 176.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.7 p -83.47 156.71 22.74 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.768 0.318 . . . . 0.0 111.078 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.1 t -56.99 -35.33 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.175 0.512 . . . . 0.0 110.878 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.9 p -71.25 -29.27 64.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.882 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.557 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 8.5 t -80.35 -28.48 38.04 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.71 HD23 HD13 ' A' ' 57' ' ' LEU . 21.8 tp -61.42 -47.46 85.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.5 174.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HB3' HG23 ' A' ' 52' ' ' ILE . 90.5 mttt -58.11 -40.82 82.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.357 175.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' HG13 ' A' ' 46' ' ' ILE . 17.7 t70 -58.14 -46.66 85.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.6 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 39' ' ' SER . 72.6 mmtt -57.07 -51.1 70.61 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.608 177.836 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.4 ' HB ' ' HE1' ' A' ' 55' ' ' MET . 61.0 mt -61.96 -33.88 60.3 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.122 -177.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -69.87 -29.53 66.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.762 0.315 . . . . 0.0 111.071 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 42' ' ' ASP . 74.2 mt -76.89 -37.18 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.189 0.518 . . . . 0.0 110.464 177.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.3 t -79.6 -53.76 12.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.182 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.14 171.64 9.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.771 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -98.99 4.39 47.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.217 0.532 . . . . 0.0 110.29 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.428 ' HG1' ' HE2' ' A' ' 22' ' ' PHE . 7.9 m -78.51 124.43 85.41 Favored Pre-proline 0 N--CA 1.445 -0.684 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.185 -177.042 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.78 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 31.9 Cg_exo -60.64 139.2 84.57 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.643 2.229 . . . . 0.0 111.112 171.115 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.446 HG23 ' HB3' ' A' ' 41' ' ' LYS . 61.4 mt -57.49 -35.51 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.533 -177.166 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -71.11 -10.19 59.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.143 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.78 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 2.9 mpt_? -96.76 -24.71 15.81 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -176.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.4 ' HE1' ' HB ' ' A' ' 44' ' ' ILE . 23.4 ptt? -110.93 138.11 47.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.33 0.586 . . . . 0.0 112.408 -170.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.415 ' HG2' ' HE3' ' A' ' 87' ' ' LYS . 0.8 OUTLIER -111.18 140.37 45.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.721 177.311 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.71 HD13 HD23 ' A' ' 40' ' ' LEU . 58.4 mt -101.85 129.89 48.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.049 -175.233 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.405 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 93.1 m-85 -126.82 121.64 32.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.002 0.43 . . . . 0.0 111.043 177.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.434 ' O ' HG12 ' A' ' 62' ' ' ILE . 39.9 t80 -104.32 104.38 14.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.084 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.7 m 62.36 8.95 3.03 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.878 0.37 . . . . 0.0 111.71 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.16 -16.89 11.77 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.79 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 59' ' ' TYR . 12.9 mm -77.9 115.14 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.86 117.16 13.11 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.73 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 41.0 mt -79.26 82.32 5.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.535 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.68 6.69 34.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.402 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -107.71 91.19 3.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.28 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -61.36 -28.39 69.19 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -176.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -86.17 3.0 44.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.913 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -95.94 151.72 19.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.133 0.492 . . . . 0.0 111.254 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.543 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 3.9 m-20 -88.13 152.25 22.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.97 174.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.561 HD11 HD13 ' A' ' 40' ' ' LEU . 67.8 mt -58.04 -37.28 74.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.65 0.738 . . . . 0.0 109.523 176.483 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -56.08 -29.51 60.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.362 176.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.543 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 9.8 mm-40 -66.27 -36.52 83.2 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.54 -178.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.466 ' HB2' HG13 ' A' ' 76' ' ' ILE . 98.4 m-85 -80.27 -11.59 59.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.39 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.47 24.01 37.89 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.855 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.466 HG13 ' HB2' ' A' ' 74' ' ' TYR . 58.4 mt -69.83 118.21 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.027 0.442 . . . . 0.0 110.96 -177.504 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.9 t -109.74 -168.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.934 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 40.7 tt0 -75.95 146.34 39.7 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.299 -0.251 . . . . 0.0 110.36 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 64.21 23.31 13.09 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.342 -177.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.7 p -68.44 142.5 55.35 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.28 171.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -94.36 102.99 14.99 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.335 0.588 . . . . 0.0 110.613 -175.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.7 mm -93.85 107.41 19.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.649 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.683 HG22 ' HE2' ' A' ' 21' ' ' LYS . 12.9 t -89.3 120.16 37.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.216 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.43 112.36 37.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.012 0.434 . . . . 0.0 110.697 -178.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -105.36 137.5 43.07 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.549 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.5 mt -97.84 121.74 40.12 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.415 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 72.7 mmtt -87.96 -17.91 30.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.603 0.716 . . . . 0.0 109.113 -179.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.6 p -144.55 140.72 28.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.047 174.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.4 pt -120.76 129.26 75.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.094 0.473 . . . . 0.0 111.274 -174.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -160.88 125.62 3.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.075 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -81.56 93.09 6.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.42 149.26 24.57 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.552 -173.547 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -89.85 98.27 11.67 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.78 176.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 . . . . . 0 C--O 1.245 0.84 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.922 177.195 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.619 0.247 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.64 144.69 17.36 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.184 174.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -128.27 143.06 50.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -119.42 17.57 12.96 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -169.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 66.54 -78.23 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.831 0.453 . . . . 0.0 111.656 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -88.77 125.71 35.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.321 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -83.07 121.48 27.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.149 0.5 . . . . 0.0 111.935 -172.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -163.65 155.76 17.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.753 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.6 m -59.07 119.86 8.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.029 0.443 . . . . 0.0 111.184 -177.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -87.71 4.64 43.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.478 0.656 . . . . 0.0 110.084 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -135.01 178.48 6.99 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.869 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.95 137.02 58.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.1 p -61.98 124.57 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.499 0.666 . . . . 0.0 110.016 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' A' ' 14' ' ' ARG . 39.9 mmt-85 -121.53 141.16 51.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.735 -172.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -93.32 137.17 32.89 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.194 177.034 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.2 pt -99.41 149.47 5.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.538 -175.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.534 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 66.5 m80 -96.69 97.28 9.22 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.859 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.0 m -86.47 144.35 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.733 -177.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 24.5 m -99.05 109.39 22.13 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.922 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -96.07 123.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.809 0.337 . . . . 0.0 110.658 -176.394 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -112.23 115.43 28.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.776 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.42 ' C ' ' H ' ' A' ' 24' ' ' SER . 15.2 m-85 -96.94 163.85 19.2 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 172.679 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.95 34.0 0.18 Allowed 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 122.993 2.462 . . . . 0.0 113.464 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 22' ' ' PHE . 75.7 m -162.37 -31.12 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.509 0.324 . . . . 0.0 111.524 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -149.2 172.21 15.2 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.136 0.493 . . . . 0.0 111.933 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 25.3 tt0 -136.9 131.68 33.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.152 178.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -147.38 160.58 42.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.481 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -103.94 141.88 35.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.722 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -127.27 142.55 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.534 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 56.4 mt-10 -92.38 112.9 25.01 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.271 0.558 . . . . 0.0 110.683 176.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.568 HG11 HD12 ' A' ' 40' ' ' LEU . 20.9 m -128.98 156.96 41.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 CA-C-N 115.103 -0.953 . . . . 0.0 108.963 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -71.49 157.86 37.27 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 120.683 0.278 . . . . 0.0 110.334 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -74.32 -21.75 59.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.39 0.615 . . . . 0.0 110.282 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.4 p -100.29 14.33 31.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.13 176.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.58 138.55 57.68 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.133 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.2 p -82.13 150.5 27.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.593 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 87.5 t -57.72 -34.61 48.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.111 0.481 . . . . 0.0 110.649 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.534 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 25.8 t -63.14 -42.39 99.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.907 178.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 62.9 m -79.55 -21.55 45.0 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.688 HD13 HD11 ' A' ' 71' ' ' LEU . 20.8 tp -62.43 -51.83 65.96 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.547 ' HB3' HG23 ' A' ' 52' ' ' ILE . 96.4 mttt -63.49 -34.85 78.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.325 177.027 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.419 ' O ' HG13 ' A' ' 46' ' ' ILE . 25.5 t70 -60.45 -49.98 75.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.866 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.505 ' HA ' HD12 ' A' ' 46' ' ' ILE . 58.4 mttp -63.01 -37.94 89.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.181 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.9 mt -64.34 -38.05 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.459 176.782 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -62.87 -30.84 71.82 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 111.138 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 43' ' ' LYS . 79.2 mt -68.68 -31.88 52.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.232 0.539 . . . . 0.0 110.35 178.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.3 t -78.79 -57.61 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.384 0.611 . . . . 0.0 110.317 173.45 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' C ' ' H ' ' A' ' 50' ' ' THR . 2.8 tp10 -113.18 129.78 56.41 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.876 -172.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.9 p-10 -70.47 22.24 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.4 ' H ' ' C ' ' A' ' 48' ' ' GLU . 23.9 m -79.87 126.42 80.07 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-O 120.851 0.357 . . . . 0.0 110.254 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.557 ' HG2' ' HD2' ' A' ' 54' ' ' ARG . 52.6 Cg_exo -51.76 135.43 49.57 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 123.171 2.58 . . . . 0.0 112.611 175.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.547 HG23 ' HB3' ' A' ' 41' ' ' LYS . 95.7 mt -63.83 -36.57 77.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.864 -174.459 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -71.81 -16.67 62.18 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.557 ' HD2' ' HG2' ' A' ' 51' ' ' PRO . 80.3 mtt180 -95.92 -35.08 11.58 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -174.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -91.23 119.49 31.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.332 0.587 . . . . 0.0 110.711 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -104.3 137.59 41.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.867 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.418 HD13 HD23 ' A' ' 40' ' ' LEU . 59.3 mt -97.55 130.58 44.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.679 -176.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.413 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 76.0 m-85 -120.4 129.8 54.08 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.704 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 80' ' ' SER . 47.3 t80 -122.32 118.2 27.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.306 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.8 m 66.65 -80.91 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 O-C-N 123.78 0.675 . . . . 0.0 110.608 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.32 15.3 1.29 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.9 mt -115.65 128.83 72.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.949 -0.626 . . . . 0.0 110.455 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -80.4 126.56 31.34 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.01 67.77 8.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.31 0.576 . . . . 0.0 109.837 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.54 -35.7 45.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.145 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.552 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 10.2 m-20 -79.66 103.69 9.74 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.593 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 22.2 m-20 -75.97 -23.28 55.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.087 -174.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -84.06 -5.97 59.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.656 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -92.71 161.67 14.46 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.151 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -94.52 152.84 18.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.284 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.688 HD11 HD13 ' A' ' 40' ' ' LEU . 55.4 mt -59.32 -39.86 84.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -175.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -62.54 -28.42 69.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.853 -0.158 . . . . 0.0 111.422 -176.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.35 -34.22 77.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.945 0.402 . . . . 0.0 110.939 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.552 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 91.7 m-85 -82.98 -4.97 58.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.378 179.038 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.55 12.7 62.39 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.246 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.45 ' HB ' ' HB3' ' A' ' 71' ' ' LEU . 49.7 mt -74.41 134.36 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.051 0.453 . . . . 0.0 110.705 -177.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -139.57 -164.95 1.78 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.829 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.59 140.3 53.77 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.6 t80 72.87 12.27 5.21 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.303 0.641 . . . . 0.0 110.626 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.518 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 58.5 m -73.67 129.83 38.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.939 173.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.418 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 35.4 tt0 -86.28 122.86 30.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.537 -176.528 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.4 115.79 50.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.773 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.3 t -94.24 126.29 46.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.015 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.8 t -99.64 105.23 17.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.184 0.516 . . . . 0.0 110.959 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.413 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 35.3 m-85 -98.43 122.26 41.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.238 176.558 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.91 121.38 29.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.056 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -76.34 -30.1 57.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.264 0.554 . . . . 0.0 110.534 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.0 m -110.67 104.08 12.72 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.361 176.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 42.1 pt -91.3 -18.43 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.213 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -75.73 108.66 8.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.038 0.447 . . . . 0.0 110.311 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -86.09 158.41 19.81 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.079 -178.655 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.1 -174.12 5.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.121 174.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -99.95 142.38 31.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.087 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.012 177.015 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.99 -132.92 52.79 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.792 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -122.39 39.85 3.81 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -68.88 91.39 0.46 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.963 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -117.92 62.24 0.76 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.531 -173.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -161.07 147.39 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.265 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -107.83 98.82 8.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.774 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -98.98 -6.58 28.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.106 0.479 . . . . 0.0 109.924 176.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.0 t -104.75 140.49 38.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.769 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -118.66 142.68 47.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.27 -168.83 3.22 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.213 -177.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.26 71.85 3.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.345 0.593 . . . . 0.0 110.031 176.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.8 m -75.27 145.8 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.267 -175.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.499 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 4.7 mmp_? -121.61 123.83 42.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.069 0.462 . . . . 0.0 111.067 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -83.58 148.71 27.01 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.34 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.567 ' HB ' ' HA ' ' A' ' 78' ' ' GLU . 17.3 pt -121.05 151.68 24.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.892 -178.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.641 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 41.4 m80 -98.8 111.89 24.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.08 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -101.97 137.31 30.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 53.5 m -90.61 110.61 21.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.261 179.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.1 t -89.97 111.38 23.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.056 0.455 . . . . 0.0 110.407 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.764 ' HE2' ' HB3' ' A' ' 81' ' ' GLU . 67.7 mttm -92.56 95.62 9.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.199 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.49 ' HE2' HG21 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -103.29 142.88 25.49 Favored Pre-proline 0 C--N 1.317 -0.826 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.375 179.25 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -59.48 -19.85 53.85 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.398 2.065 . . . . 0.0 110.87 171.134 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.0 t -75.14 -69.83 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.636 174.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -152.83 174.63 13.82 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.422 175.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -112.3 127.19 55.92 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.012 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -147.51 159.1 44.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.499 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -105.76 140.31 38.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.052 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.11 141.53 43.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.248 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.641 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 51.5 mt-10 -89.58 117.15 28.26 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.214 0.531 . . . . 0.0 110.318 174.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.59 HG11 HD12 ' A' ' 40' ' ' LEU . 11.5 m -132.91 156.19 42.01 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.24 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.211 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -76.24 160.26 29.84 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -73.42 -20.17 60.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.063 0.458 . . . . 0.0 110.259 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.4 p -100.81 14.77 30.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.355 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 17.1 tp10 -61.74 133.64 55.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.768 177.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -72.37 150.0 43.85 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.535 -179.304 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.596 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 92.7 t -57.51 -43.57 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.125 0.488 . . . . 0.0 110.716 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -69.42 -26.68 64.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.507 178.875 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 m -79.31 -29.6 42.46 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.713 HD22 HD21 ' A' ' 71' ' ' LEU . 18.1 tp -64.27 -49.98 69.74 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.185 173.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.542 ' HB3' HG23 ' A' ' 52' ' ' ILE . 98.5 mttt -62.14 -37.17 84.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.683 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.484 ' O ' HG13 ' A' ' 46' ' ' ILE . 26.4 t70 -60.37 -48.33 82.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.377 178.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.5 ' CD ' HG12 ' A' ' 31' ' ' VAL . 49.4 mttp -59.68 -44.82 93.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.408 177.701 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.49 HG21 ' HE2' ' A' ' 22' ' ' PHE . 74.0 mt -63.26 -37.22 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.525 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -64.87 -29.58 70.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 111.059 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 42' ' ' ASP . 89.3 mt -74.93 -36.51 39.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.065 0.459 . . . . 0.0 110.918 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.8 t -80.07 -53.12 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.42 -177.81 6.29 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.968 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -116.3 20.91 13.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.406 0.622 . . . . 0.0 109.93 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.8 m -99.07 123.41 49.11 Favored Pre-proline 0 N--CA 1.444 -0.739 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.778 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.754 ' HG2' HH11 ' A' ' 54' ' ' ARG . 54.1 Cg_exo -52.67 143.79 45.31 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.577 2.851 . . . . 0.0 112.98 175.27 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 41' ' ' LYS . 64.6 mt -61.08 -39.67 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.482 -177.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 3.0 mmmp? -73.15 -9.86 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.978 -176.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.754 HH11 ' HG2' ' A' ' 51' ' ' PRO . 43.4 mtt180 -99.08 -34.99 10.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.793 0.33 . . . . 0.0 111.66 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.404 ' SD ' ' HZ ' ' A' ' 22' ' ' PHE . 24.3 ptt? -94.1 125.68 38.88 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.21 0.529 . . . . 0.0 111.777 -177.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -107.78 134.76 50.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.616 176.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.433 HD13 HD23 ' A' ' 40' ' ' LEU . 54.3 mt -96.76 129.18 44.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.04 -174.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 35.2 m-85 -117.2 122.33 43.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.151 0.501 . . . . 0.0 110.979 176.083 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.407 ' HE1' ' HB2' ' A' ' 80' ' ' SER . 39.3 t80 -104.7 105.52 15.64 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.84 176.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.2 m 61.59 22.22 12.74 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.398 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.6 -19.17 39.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.229 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 57.4 mt -85.8 123.38 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.496 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -83.03 132.49 35.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.443 0.64 . . . . 0.0 111.089 -176.617 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.6 mt -87.33 76.93 9.04 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.33 -14.17 27.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.029 -171.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -101.69 87.49 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.26 0.552 . . . . 0.0 110.27 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.596 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 0.7 OUTLIER -55.56 -26.14 41.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.882 -176.867 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -83.46 4.16 28.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -101.97 171.63 7.4 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.499 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 85.8 m-20 -107.66 164.34 12.32 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.365 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.713 HD21 HD22 ' A' ' 40' ' ' LEU . 63.9 mt -62.22 -34.11 75.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.671 -177.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -59.4 -27.73 66.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.319 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -67.54 -27.1 66.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.703 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -97.04 -7.56 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.72 34.21 25.51 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.096 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.611 HD12 HD22 ' A' ' 71' ' ' LEU . 43.5 mt -86.25 132.29 32.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.744 0.307 . . . . 0.0 110.485 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.7 t -130.19 -169.06 2.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.193 -177.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.567 ' HA ' ' HB ' ' A' ' 16' ' ' ILE . 42.1 tt0 -68.98 140.94 55.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.707 0.289 . . . . 0.0 111.071 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.2 t80 73.11 20.3 3.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.847 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.407 ' HB2' ' HE1' ' A' ' 59' ' ' TYR . 63.1 p -76.24 134.62 39.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.352 176.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.764 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 51.4 mt-10 -91.4 122.41 33.98 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.581 179.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.9 mm -106.29 119.59 55.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.806 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.638 HG22 ' HD2' ' A' ' 21' ' ' LYS . 46.1 t -93.55 122.45 45.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.6 t -100.55 111.24 29.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.064 0.459 . . . . 0.0 111.367 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.51 128.43 43.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.4 173.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.1 mt -90.37 127.46 36.19 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.061 0.457 . . . . 0.0 110.211 -178.114 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.473 ' HA ' ' HD3' ' A' ' 87' ' ' LYS . 69.9 mmtt -99.27 96.22 7.59 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.253 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.6 t -84.66 91.61 7.97 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.121 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.5 pt -97.34 116.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.15 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -134.36 125.53 27.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.04 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.586 ' HD2' ' H ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -121.65 140.65 52.01 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.076 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.76 165.07 11.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.003 -177.141 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -99.0 -24.75 14.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.585 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.4 -0.81 . . . . 0.0 109.909 178.733 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.0 mtt . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.798 0.333 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.18 -56.63 4.37 Favored Glycine 0 CA--C 1.519 0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 113.546 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -65.03 100.0 0.39 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -174.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 44.4 73.69 0.15 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.009 0.818 . . . . 0.0 112.432 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -152.15 148.94 28.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.128 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -89.21 86.58 6.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.395 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -101.33 95.09 6.28 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 176.077 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -74.15 98.1 3.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.806 -177.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -86.22 73.36 10.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.302 0.572 . . . . 0.0 111.059 -174.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -101.76 88.24 3.34 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 174.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.8 166.12 25.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -174.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.69 24.94 1.14 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.341 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.91 106.41 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.756 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -136.2 117.88 15.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.7 -177.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -74.96 137.46 41.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.405 -177.712 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.429 HG21 ' O ' ' A' ' 77' ' ' THR . 23.8 pt -98.49 156.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.037 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -89.52 97.55 11.26 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.165 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.9 m -87.41 145.22 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.073 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.595 ' HB ' ' HG2' ' A' ' 81' ' ' GLU . 60.0 m -104.87 113.28 26.78 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.521 -175.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.4 t -92.81 116.8 34.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.078 0.466 . . . . 0.0 110.938 -177.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -96.29 103.85 15.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.688 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -97.54 157.71 34.3 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -70.7 45.16 0.54 Allowed 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 123.056 2.504 . . . . 0.0 111.864 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.5 t -165.79 -67.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.804 -177.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -132.53 175.18 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.122 0.487 . . . . 0.0 110.791 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -125.89 128.78 48.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.954 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -138.51 156.41 47.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.845 0.355 . . . . 0.0 110.79 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.21 141.0 37.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.59 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.481 HG11 ' HB3' ' A' ' 43' ' ' LYS . 26.0 t -126.96 150.0 32.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.611 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -92.44 112.01 23.8 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.526 175.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.627 HG11 HD12 ' A' ' 40' ' ' LEU . 31.0 m -136.47 147.66 27.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.733 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.501 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 16.5 t70 -80.56 161.67 24.66 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.283 -178.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 33' ' ' ARG . 61.9 mtt180 -66.58 -25.47 66.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.018 0.437 . . . . 0.0 110.475 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.637 ' HA ' ' OD1' ' A' ' 70' ' ' ASN . 76.2 p -102.55 16.42 26.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.073 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 7.3 tp10 -74.38 152.61 39.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.143 175.45 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 p -90.81 160.84 15.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.646 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.43 HG12 ' HE3' ' A' ' 41' ' ' LYS . 59.3 t -66.26 -36.39 77.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.072 0.463 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -58.55 -39.81 81.28 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.148 177.58 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.621 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 22.7 m -79.81 -27.22 40.32 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.737 -176.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.627 HD12 HG11 ' A' ' 31' ' ' VAL . 23.9 tp -62.36 -49.25 76.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.931 176.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HE3' HG12 ' A' ' 37' ' ' VAL . 92.2 mttt -59.41 -39.59 83.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.598 177.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' HG13 ' A' ' 46' ' ' ILE . 20.3 t70 -57.8 -48.6 79.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.156 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' A' ' 39' ' ' SER . 75.0 mmtt -56.1 -48.99 75.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.313 0.577 . . . . 0.0 110.519 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.3 mt -64.45 -38.5 82.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.182 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -64.75 -30.1 71.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 111.516 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 42' ' ' ASP . 84.1 mt -70.79 -30.99 44.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.143 0.497 . . . . 0.0 110.346 178.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 t -78.02 -56.46 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.354 0.597 . . . . 0.0 110.756 173.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -114.45 133.43 55.75 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.934 -171.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -75.4 9.22 2.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -171.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.454 HG21 HD22 ' A' ' 86' ' ' LEU . 14.5 m -65.42 123.66 84.99 Favored Pre-proline 0 N--CA 1.446 -0.636 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 175.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.456 ' HG2' ' HD2' ' A' ' 54' ' ' ARG . 52.2 Cg_exo -53.37 136.62 63.55 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.858 2.372 . . . . 0.0 112.128 175.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 41' ' ' LYS . 64.4 mt -60.17 -35.53 62.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.736 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.89 -29.64 68.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.776 0.322 . . . . 0.0 111.509 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' HD2' ' HG2' ' A' ' 51' ' ' PRO . 43.6 mtt180 -80.98 -40.35 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.451 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.5 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 26.3 ptt? -90.91 117.43 29.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.341 0.591 . . . . 0.0 111.062 -176.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -101.45 132.92 46.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.958 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.6 mt -91.38 128.23 37.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.944 -175.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.506 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 74.9 m-85 -120.94 127.71 52.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.371 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CE1' ' HB3' ' A' ' 80' ' ' SER . 62.0 t80 -116.88 112.75 21.5 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.345 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.8 m 60.09 21.83 11.05 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.886 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.06 -12.96 55.92 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.237 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.4 mt -91.35 125.77 44.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 12.6 pt-20 -81.52 134.38 35.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.126 0.488 . . . . 0.0 109.753 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.2 mt -82.98 70.29 9.95 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.351 0.596 . . . . 0.0 109.844 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.51 -35.53 68.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.357 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 61.5 m-20 -80.92 100.21 8.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.329 0.585 . . . . 0.0 110.371 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -70.02 -31.03 68.48 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.531 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -81.83 -9.21 59.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.738 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -80.93 168.85 18.26 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.401 0.62 . . . . 0.0 112.1 -175.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.637 ' OD1' ' HA ' ' A' ' 34' ' ' THR . 2.0 t-20 -94.25 158.42 15.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.208 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 80.6 mt -72.03 -44.76 62.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.743 -177.638 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.48 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 9.2 p30 -60.35 -27.77 67.64 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.772 0.32 . . . . 0.0 110.971 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -58.34 -32.91 68.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.54 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.436 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 95.3 m-85 -85.06 -9.15 58.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 111.156 -178.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.6 -0.86 30.66 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.218 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 72' ' ' ASN . 72.0 mt -67.42 130.79 33.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 177.392 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.429 ' O ' HG21 ' A' ' 16' ' ' ILE . 3.1 t -147.41 -36.65 0.22 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.817 -174.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -178.14 135.91 0.16 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.385 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 58.43 20.2 7.2 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.718 0.637 . . . . 0.0 111.4 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.511 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 2.8 m -65.13 131.09 45.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.946 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.595 ' HG2' ' HB ' ' A' ' 19' ' ' THR . 25.3 mt-10 -95.25 125.34 39.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.34 0.59 . . . . 0.0 110.79 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.0 mm -107.07 114.57 46.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.687 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.3 t -88.96 116.9 31.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 56.0 t -96.25 105.83 17.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.229 0.538 . . . . 0.0 110.973 -176.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.506 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 28.2 m-85 -94.74 121.66 36.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.931 176.025 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.454 HD22 HG21 ' A' ' 50' ' ' THR . 28.5 mt -83.63 119.14 24.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.795 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -97.95 117.2 31.76 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.964 -175.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.1 m -78.57 61.22 2.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.024 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 32.3 pt -65.84 -36.34 77.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.325 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -145.4 104.21 3.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.207 174.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -29.27 70.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.44 168.87 5.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.861 173.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.557 ' HG2' ' OD1' ' A' ' 94' ' ' ASP . 41.7 tttm -132.36 -77.74 0.5 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.699 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.557 ' OD1' ' HG2' ' A' ' 93' ' ' LYS . 7.1 p-10 . . . . . 0 C--O 1.247 0.965 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 175.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.681 0.277 . . . . 0.0 110.65 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.85 -105.33 0.82 Allowed Glycine 0 C--N 1.331 0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 114.077 171.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -103.1 6.26 38.45 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -174.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -80.27 83.05 6.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -136.35 177.31 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.978 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -95.24 13.15 26.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.886 0.374 . . . . 0.0 111.283 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -98.29 -7.87 28.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.803 176.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -129.59 111.62 12.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.41 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 m -75.01 145.9 42.08 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 172.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -80.55 -78.05 0.18 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.914 0.387 . . . . 0.0 110.109 -175.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -171.78 -178.53 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.933 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.73 23.63 0.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.168 0.509 . . . . 0.0 110.739 177.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.2 p -72.69 111.6 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.714 0.768 . . . . 0.0 110.492 179.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -132.34 154.43 49.75 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.627 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -85.16 152.18 23.56 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.423 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.5 pt -101.73 142.32 16.49 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-O 121.31 0.576 . . . . 0.0 110.11 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.658 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 69.8 m80 -97.44 98.74 10.2 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.226 -177.802 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 m -92.06 142.78 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.614 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.1 m -100.1 111.67 23.96 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.146 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.8 t -89.06 115.41 28.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.097 0.475 . . . . 0.0 110.752 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -90.02 102.55 15.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.841 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.593 ' CD1' ' HD2' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -114.15 147.79 38.63 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.685 178.709 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.593 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 40.3 Cg_endo -68.55 -13.88 38.35 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.3 2.0 . . . . 0.0 112.039 175.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 p -96.39 -30.85 13.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.429 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.18 174.82 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.423 -176.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -129.1 129.55 45.35 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.426 ' HZ ' HG23 ' A' ' 44' ' ' ILE . 39.6 p90 -149.39 156.34 41.89 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.314 0.578 . . . . 0.0 111.383 -177.362 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 m -104.65 136.96 43.22 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.263 177.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.61 135.79 58.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.658 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 47.1 mt-10 -90.31 108.64 19.89 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.409 0.623 . . . . 0.0 109.968 174.245 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.472 HG11 HD12 ' A' ' 40' ' ' LEU . 16.6 m -127.21 155.9 38.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.768 177.682 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 15.4 t0 -66.8 147.04 53.77 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.733 175.378 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -75.95 -25.1 55.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.098 0.475 . . . . 0.0 110.7 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.4 14.29 18.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.441 0.639 . . . . 0.0 110.635 175.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 22.6 tt0 -72.49 147.06 46.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.921 177.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 16.4 p -88.89 160.88 16.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.6 0.238 . . . . 0.0 111.122 -178.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.427 HG12 ' HE3' ' A' ' 41' ' ' LYS . 61.7 t -58.96 -34.36 52.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.059 0.457 . . . . 0.0 110.694 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.549 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 25.3 p -54.72 -47.77 73.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.443 176.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 23.0 m -75.78 -28.94 58.59 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.418 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 71' ' ' LEU . 13.1 tp -62.01 -46.26 89.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.905 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HE3' HG12 ' A' ' 37' ' ' VAL . 95.9 mttt -59.45 -41.76 90.43 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.393 176.276 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.418 ' O ' HG13 ' A' ' 46' ' ' ILE . 30.6 t70 -59.43 -45.89 90.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.785 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 39' ' ' SER . 35.0 mmtp -56.37 -51.5 68.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.866 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.426 HG23 ' HZ ' ' A' ' 27' ' ' PHE . 66.0 mt -61.15 -41.5 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.184 -176.589 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -64.71 -29.15 70.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.568 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 42' ' ' ASP . 91.3 mt -73.57 -35.29 44.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.004 0.43 . . . . 0.0 110.446 178.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.7 t -80.39 -53.64 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.979 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.09 162.57 14.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.014 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -84.23 -22.8 30.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.976 0.417 . . . . 0.0 110.933 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.3 m -61.85 131.5 93.08 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.661 -177.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.764 ' HG2' ' HD3' ' A' ' 54' ' ' ARG . 56.6 Cg_endo -73.71 153.14 48.49 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.749 2.299 . . . . 0.0 112.405 178.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.8 mt -66.58 -24.07 32.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.524 0.678 . . . . 0.0 110.308 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -68.28 -19.1 64.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.055 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.764 ' HD3' ' HG2' ' A' ' 51' ' ' PRO . 8.9 mpt_? -106.76 -26.97 11.06 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.912 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.509 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 27.0 ptt? -96.93 134.89 39.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.219 0.533 . . . . 0.0 112.164 -173.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.3 mp0 -115.73 141.93 47.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.067 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.4 mt -99.5 128.38 45.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.902 0.382 . . . . 0.0 111.363 -174.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.412 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 94.6 m-85 -127.76 126.98 42.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.224 176.288 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -112.56 105.67 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.724 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.0 m 61.65 27.05 16.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.419 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.18 -25.31 28.72 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.835 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.5 mt -80.73 120.01 31.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.908 0.385 . . . . 0.0 110.349 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -75.21 140.32 43.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.071 176.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.1 mt -88.05 88.19 7.57 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.18 -28.39 38.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.781 -172.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.429 ' HB2' ' HD3' ' A' ' 69' ' ' ARG . 26.5 m-20 -100.56 108.13 19.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.323 0.582 . . . . 0.0 110.617 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.549 ' OD2' ' HB3' ' A' ' 38' ' ' SER . 22.0 t70 -66.47 -30.93 71.38 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.751 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -84.31 -8.36 59.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.385 -173.156 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.429 ' HD3' ' HB2' ' A' ' 66' ' ' ASP . 74.8 mtp180 -83.07 156.33 23.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.257 0.551 . . . . 0.0 110.816 -178.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.562 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 8.2 m120 -86.52 154.16 21.3 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.937 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 40' ' ' LEU . 41.5 mt -59.05 -35.19 72.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.729 0.776 . . . . 0.0 109.101 173.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -57.27 -34.19 68.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.726 175.256 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.538 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 23.4 mm-40 -65.28 -47.38 76.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.1 0.476 . . . . 0.0 110.081 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -71.81 -23.02 61.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.528 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.33 33.16 7.35 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.82 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.521 HD12 HD22 ' A' ' 71' ' ' LEU . 52.4 mt -77.94 119.69 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.087 0.47 . . . . 0.0 110.612 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.5 t -104.35 -174.37 2.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.227 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.503 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 39.1 tt0 -76.84 148.83 36.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.453 0.168 . . . . 0.0 110.695 -179.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.503 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 37.4 m-85 69.63 20.65 6.93 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.7 0.625 . . . . 0.0 111.066 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 p -74.19 132.95 42.67 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.95 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -92.36 106.24 18.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.165 0.507 . . . . 0.0 110.081 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.8 mm -89.94 115.94 30.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.518 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.4 t -92.79 117.29 35.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.692 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.509 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 45.0 t -101.27 110.02 27.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.515 -178.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.696 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 44.5 m-85 -94.91 121.14 36.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.22 178.168 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.47 HD21 ' CE1' ' A' ' 22' ' ' PHE . 26.6 mt -84.58 115.0 22.38 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.419 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.696 ' HE3' ' HB3' ' A' ' 85' ' ' PHE . 29.8 mmtp -113.72 92.07 3.86 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 m -71.93 97.41 1.84 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.604 -174.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.3 pt -105.38 118.82 53.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.94 174.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -85.69 117.5 24.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.345 0.593 . . . . 0.0 110.585 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -137.6 87.95 2.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.789 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 62.3 93.86 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 O-C-N 123.908 0.755 . . . . 0.0 111.187 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -107.88 148.15 30.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -176.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.9 t70 . . . . . 0 C--O 1.248 0.977 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 169.982 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mmm . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.756 0.313 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.29 162.39 11.39 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.187 -1.006 . . . . 0.0 112.371 177.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -118.96 128.99 54.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -86.88 67.29 9.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.665 0.745 . . . . 0.0 110.834 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -80.52 -28.35 37.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.403 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -87.46 119.51 27.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 174.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 63.23 67.37 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -171.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -91.23 172.8 8.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.806 -170.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -157.71 152.59 25.43 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.026 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -99.72 -7.4 25.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.517 0.675 . . . . 0.0 109.286 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.23 141.36 28.62 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.093 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.13 151.98 31.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.133 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -76.88 168.6 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.294 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -92.56 103.17 15.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.154 0.502 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 3.4 mppt? -82.11 120.19 24.99 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 173.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.642 HG21 ' O ' ' A' ' 77' ' ' THR . 27.9 pt -92.1 145.78 7.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.107 -170.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.632 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 43.5 m80 -88.93 95.39 10.29 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.737 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -85.03 141.24 14.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.281 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -95.3 109.7 21.8 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.82 118.5 34.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.955 0.407 . . . . 0.0 110.48 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.609 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 35.1 mmtp -96.07 96.95 9.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.659 -178.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -96.48 152.94 38.96 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.863 174.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -60.26 -23.06 73.01 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.462 2.108 . . . . 0.0 112.006 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.4 m -84.52 -61.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.05 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.04 173.75 13.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 110.669 -176.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.538 ' OE1' ' HE2' ' A' ' 21' ' ' LYS . 14.8 tt0 -111.62 133.18 54.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.055 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -146.09 166.24 26.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.656 0.265 . . . . 0.0 110.364 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.461 HG21 ' HB3' ' A' ' 17' ' ' HIS . 3.2 m -111.18 145.2 39.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.548 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 36.2 t -129.57 141.5 46.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.832 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.632 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 56.6 mt-10 -90.47 109.77 20.89 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.068 0.461 . . . . 0.0 110.016 176.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.422 HG12 ' HD3' ' A' ' 43' ' ' LYS . 25.2 m -128.69 147.09 33.18 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.83 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 37.2 t0 -71.9 147.76 46.74 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -72.38 -21.41 61.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.29 0.567 . . . . 0.0 110.533 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.33 14.2 23.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.822 175.193 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HG3' ' HB3' ' A' ' 39' ' ' SER . 5.6 tp10 -69.43 151.3 46.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.386 175.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.4 p -90.15 161.02 15.96 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.1 t -64.31 -33.93 65.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.191 0.519 . . . . 0.0 110.087 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.447 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 14.1 p -62.0 -38.93 90.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.812 176.143 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.544 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 17.9 t -79.69 -25.64 41.16 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -176.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.833 HD23 HD13 ' A' ' 57' ' ' LEU . 19.3 tp -66.77 -52.41 44.47 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.57 176.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.53 ' HB3' HG23 ' A' ' 52' ' ' ILE . 76.6 mttt -61.77 -36.49 81.2 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.444 176.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.457 ' O ' HG13 ' A' ' 46' ' ' ILE . 25.9 t70 -58.38 -47.67 83.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.743 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HD3' HG12 ' A' ' 31' ' ' VAL . 51.8 mttp -64.09 -46.21 85.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.507 179.284 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.2 mt -59.57 -36.05 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.637 176.238 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -66.36 -30.7 71.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.588 0.233 . . . . 0.0 111.218 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 42' ' ' ASP . 83.2 mt -73.34 -47.59 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.046 0.45 . . . . 0.0 110.284 178.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.4 -52.06 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.291 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -91.31 -169.5 2.34 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.77 -173.153 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -122.1 19.7 10.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.584 0.707 . . . . 0.0 110.346 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.516 HG21 ' HB3' ' A' ' 55' ' ' MET . 13.1 m -102.33 131.21 22.78 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.111 -177.627 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.411 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 35.3 Cg_exo -57.12 139.94 91.35 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 123.01 2.474 . . . . 0.0 111.582 171.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.53 HG23 ' HB3' ' A' ' 41' ' ' LYS . 33.5 mt -57.23 -36.56 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.347 -174.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -85.68 -10.2 56.06 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -175.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.411 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 3.6 mpt_? -92.86 -26.1 17.79 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.217 177.351 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.516 ' HB3' HG21 ' A' ' 50' ' ' THR . 23.5 ptt? -98.71 124.89 43.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.131 0.491 . . . . 0.0 110.79 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG3' ' HE3' ' A' ' 87' ' ' LYS . 15.2 mm100 -107.7 145.85 32.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.606 -178.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.833 HD13 HD23 ' A' ' 40' ' ' LEU . 55.0 mt -107.98 129.07 55.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -175.581 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.466 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 87.3 m-85 -128.84 137.62 51.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.053 0.454 . . . . 0.0 110.674 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -126.13 107.72 10.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.223 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.3 m 57.79 29.78 17.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.53 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.01 -14.38 62.71 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.451 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.5 mt -83.71 127.6 39.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -82.28 120.62 25.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.543 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.0 mt -83.81 81.62 8.68 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.0 -29.89 13.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.122 -174.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -73.01 107.37 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.815 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 38' ' ' SER . 17.8 t70 -62.33 -40.69 97.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.231 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -77.12 -12.66 59.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.24 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -80.16 156.24 27.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -173.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.527 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 12.1 m120 -97.25 151.77 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.461 177.03 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.638 HD11 HD13 ' A' ' 40' ' ' LEU . 78.6 mt -57.83 -47.21 83.31 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -174.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -59.63 -27.47 66.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.59 -176.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.527 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 30.2 mt-10 -65.22 -21.63 66.77 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.691 0.281 . . . . 0.0 111.196 -178.206 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -86.06 -13.38 47.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.976 0.417 . . . . 0.0 110.353 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.78 8.4 30.18 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.95 -176.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.6 mt -74.2 109.69 7.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.057 0.456 . . . . 0.0 110.508 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.642 ' O ' HG21 ' A' ' 16' ' ' ILE . 3.3 t -99.58 -59.8 1.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.711 -177.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' H ' HG23 ' A' ' 77' ' ' THR . 38.7 tt0 -176.81 154.02 1.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -176.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.456 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 52.3 m-85 57.98 22.24 8.62 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.217 0.532 . . . . 0.0 111.288 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.3 p -72.22 130.03 39.84 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.261 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -91.89 94.64 9.4 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.912 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.1 mm -80.96 115.81 24.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.608 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.609 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 12.3 t -87.11 120.71 36.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.948 -177.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.1 t -100.74 105.81 18.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.341 0.591 . . . . 0.0 110.556 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.466 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 60.9 m-85 -92.06 123.57 35.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.856 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.804 ' HB2' HD13 ' A' ' 89' ' ' ILE . 44.3 mt -97.69 123.17 41.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.814 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.477 ' HE3' ' HG3' ' A' ' 56' ' ' GLN . 3.7 mptp? -93.49 128.37 39.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.847 -171.502 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.7 m 58.68 43.46 18.77 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.698 174.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.804 HD13 ' HB2' ' A' ' 86' ' ' LEU . 16.8 pt -89.19 128.04 41.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.349 0.595 . . . . 0.0 111.859 -178.452 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -135.43 162.11 33.56 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -64.41 136.47 57.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.167 0.508 . . . . 0.0 111.021 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -119.84 46.95 1.83 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.034 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -66.08 -47.28 74.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.393 -174.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.123 -0.942 . . . . 0.0 109.966 -177.811 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.03 96.93 0.16 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.136 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -64.26 110.3 2.17 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -67.47 122.04 17.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.41 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -84.45 -30.22 25.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.116 -177.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 61.26 20.34 10.94 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.57 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -88.27 117.7 27.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.677 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -81.16 147.95 29.8 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.8 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m 62.07 95.33 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.656 0.597 . . . . 0.0 111.058 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -154.01 -55.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.124 0.488 . . . . 0.0 110.829 -175.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -159.62 -179.68 8.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.27 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.25 148.62 26.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.07 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.3 m -71.53 167.17 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.21 0.528 . . . . 0.0 111.906 -176.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -99.05 137.98 36.8 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.46 128.06 35.25 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 171.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.602 ' HA ' ' HG3' ' A' ' 78' ' ' GLU . 29.0 pt -83.51 143.87 11.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-O 121.692 0.758 . . . . 0.0 111.595 -169.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.464 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 52.4 m80 -88.13 98.24 11.44 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.789 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 m -92.81 131.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.07 0.462 . . . . 0.0 110.427 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.8 m -85.55 110.33 19.15 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.857 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -91.28 107.95 19.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.108 0.48 . . . . 0.0 109.899 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.529 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 50.4 mtpt -99.05 104.42 16.44 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.354 -177.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -95.31 156.48 37.63 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.607 173.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.92 -18.32 61.93 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.372 2.048 . . . . 0.0 111.435 173.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.1 m -104.17 -21.92 13.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.277 -175.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -168.44 172.67 8.13 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.623 0.249 . . . . 0.0 110.986 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -137.83 131.19 30.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.222 176.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -150.91 163.81 37.81 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -108.36 142.91 37.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.681 0.277 . . . . 0.0 110.481 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.4 t -123.67 137.55 56.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.464 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 53.6 mt-10 -91.46 102.98 15.66 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.56 0.695 . . . . 0.0 110.094 176.043 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.44 HG11 HD12 ' A' ' 40' ' ' LEU . 35.3 m -119.49 145.7 25.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.841 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.66 144.94 46.51 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HB3' HG23 ' A' ' 16' ' ' ILE . 17.8 ptp180 -69.76 -21.69 63.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.835 0.35 . . . . 0.0 110.75 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.588 ' HA ' ' OD1' ' A' ' 72' ' ' ASN . 45.5 p -96.37 14.9 22.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.624 177.204 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -70.6 149.86 46.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.185 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 p -88.21 152.1 22.21 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.566 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 87.6 t -56.04 -37.7 49.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 121.014 0.435 . . . . 0.0 110.605 177.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.564 ' HB3' ' HB3' ' A' ' 67' ' ' ASP . 12.3 p -59.21 -44.88 92.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.945 177.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 26.9 m -79.18 -24.68 43.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.172 -176.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.697 HD23 HD13 ' A' ' 57' ' ' LEU . 17.0 tp -62.05 -43.12 99.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.251 173.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.456 ' HD3' HG23 ' A' ' 52' ' ' ILE . 99.3 mttt -65.89 -34.2 77.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.595 176.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.459 ' O ' HG13 ' A' ' 46' ' ' ILE . 12.3 m-20 -61.78 -42.9 99.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.468 176.168 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 39' ' ' SER . 74.3 mmtt -56.04 -50.55 70.63 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.306 0.574 . . . . 0.0 110.143 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.71 -40.35 88.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.135 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -64.23 -30.77 71.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.312 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 42' ' ' ASP . 99.5 mt -74.75 -38.15 44.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.974 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.7 t -82.93 -54.7 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.225 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -98.72 153.46 18.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.114 0.483 . . . . 0.0 111.445 -176.019 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -87.13 78.41 8.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.508 0.671 . . . . 0.0 109.475 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.9 m -147.85 123.38 5.24 Favored Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.721 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.01 136.22 64.06 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.736 2.291 . . . . 0.0 111.848 173.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.456 HG23 ' HD3' ' A' ' 41' ' ' LYS . 70.1 mt -63.59 -26.77 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.108 -177.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -72.6 -10.75 60.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.681 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -100.52 -42.38 6.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.003 0.43 . . . . 0.0 111.244 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -89.56 131.59 35.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.32 0.581 . . . . 0.0 112.15 -172.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CB ' ' HE3' ' A' ' 87' ' ' LYS . 4.6 tp-100 -111.76 149.33 31.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.55 175.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.697 HD13 HD23 ' A' ' 40' ' ' LEU . 78.0 mt -102.24 134.69 45.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.737 0.303 . . . . 0.0 111.088 -176.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 41.3 m-85 -124.02 121.49 35.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.274 176.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -93.05 103.14 15.47 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 m 66.77 -74.22 0.07 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 123.89 0.744 . . . . 0.0 110.865 -176.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -146.64 10.63 1.46 Allowed Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 37.4 mt -105.25 122.89 59.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.199 -176.414 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -79.69 121.14 24.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.997 0.427 . . . . 0.0 110.339 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.8 mt -83.59 80.25 9.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.048 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.9 -17.68 34.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.989 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.446 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 2.9 m-20 -91.87 100.17 12.9 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.566 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 9.9 m-20 -71.5 -33.03 68.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.177 -175.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -80.49 15.97 1.49 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.202 -0.453 . . . . 0.0 112.013 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.468 ' O ' HG23 ' A' ' 37' ' ' VAL . 14.3 mmt180 -102.55 136.09 43.01 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.957 0.408 . . . . 0.0 111.502 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.537 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 5.3 m-20 -71.67 146.73 48.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.29 175.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.692 HD21 HD22 ' A' ' 40' ' ' LEU . 68.8 mt -61.58 -42.45 98.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.01 0.434 . . . . 0.0 110.428 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.588 ' OD1' ' HA ' ' A' ' 34' ' ' THR . 4.2 p-10 -61.08 -29.01 69.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.423 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 54.5 mm-40 -66.44 -37.42 85.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.55 0.214 . . . . 0.0 111.155 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' TYR . . . . . 0.447 ' HB2' HG13 ' A' ' 76' ' ' ILE . 82.8 m-85 -70.41 -23.39 62.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.006 0.431 . . . . 0.0 110.453 177.253 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.01 12.83 28.74 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -175.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.447 HG13 ' HB2' ' A' ' 74' ' ' TYR . 65.9 mt -67.67 116.71 7.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.925 0.393 . . . . 0.0 110.691 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.3 t -101.47 -172.82 2.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.002 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.602 ' HG3' ' HA ' ' A' ' 16' ' ' ILE . 22.1 tt0 -76.47 154.74 34.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.495 -177.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 64.29 31.29 13.04 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.583 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 p -85.55 172.23 11.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.393 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -119.42 112.75 19.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.081 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 1.7 mp -106.86 108.51 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.376 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.529 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 21.4 t -87.84 122.07 39.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.58 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.4 t -95.52 103.98 15.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-O 121.032 0.444 . . . . 0.0 110.821 -176.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.441 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 37.7 m-85 -95.29 121.91 37.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.084 176.213 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.666 ' HB2' HD13 ' A' ' 89' ' ' ILE . 22.1 mt -87.51 126.67 35.05 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.449 ' HE3' ' CB ' ' A' ' 56' ' ' GLN . 38.2 mttt -112.26 145.03 40.68 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.844 -173.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 m 65.94 28.54 10.57 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.103 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.666 HD13 ' HB2' ' A' ' 86' ' ' LEU . 28.0 pt -101.39 123.04 54.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.118 0.485 . . . . 0.0 111.142 -178.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -106.96 109.13 20.94 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 173.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -74.76 88.55 2.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 175.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.04 132.32 40.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.43 -170.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -103.47 172.41 6.82 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 172.331 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.623 -0.703 . . . . 0.0 109.303 179.049 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.6 ttm . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -137.21 153.06 21.7 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.617 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -149.37 140.74 23.24 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 176.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -60.79 123.57 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.2 0.524 . . . . 0.0 111.54 -173.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -151.34 127.15 10.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.185 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -131.18 142.0 50.14 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -53.72 126.03 20.51 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.352 0.596 . . . . 0.0 111.883 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -87.69 75.09 9.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.554 0.692 . . . . 0.0 109.888 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -164.59 166.03 20.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.883 -1.053 . . . . 0.0 108.275 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -128.54 123.56 33.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.99 0.424 . . . . 0.0 111.105 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -148.14 149.95 32.93 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.446 174.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.22 103.54 1.6 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.967 0.413 . . . . 0.0 109.976 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 p -102.79 128.57 55.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.363 0.601 . . . . 0.0 111.511 -174.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -96.53 107.38 19.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.692 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 3.3 mppt? -74.7 139.18 43.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.667 -178.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.555 HG21 ' O ' ' A' ' 77' ' ' THR . 15.7 pt -91.84 150.91 3.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.252 0.548 . . . . 0.0 111.325 -173.729 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.598 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 46.4 m80 -91.73 106.29 18.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.772 178.064 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.07 140.49 19.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.407 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.6 m -93.64 109.94 21.56 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.9 t -94.44 113.86 29.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.02 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.512 ' HB3' ' NZ ' ' A' ' 21' ' ' LYS . 7.9 mtpm? -101.5 113.62 26.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.654 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -99.18 155.1 36.92 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.359 170.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -59.59 -11.27 13.65 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.676 2.251 . . . . 0.0 112.95 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -123.14 -13.1 7.81 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -159.52 169.81 23.04 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 122.013 -0.429 . . . . 0.0 111.278 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.5 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 24.4 tt0 -144.27 127.02 16.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.953 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -147.32 160.0 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.708 0.29 . . . . 0.0 110.612 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 m -107.74 141.94 38.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.426 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.7 t -128.22 147.32 32.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.151 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.598 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 49.0 mt-10 -95.43 109.74 21.88 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.235 0.54 . . . . 0.0 110.377 175.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.416 HG11 HD12 ' A' ' 40' ' ' LEU . 18.8 m -126.75 153.0 35.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.245 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -66.25 148.61 51.59 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.83 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 33' ' ' ARG . 13.6 ptm180 -75.43 -27.32 58.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.407 0.622 . . . . 0.0 110.331 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.97 14.19 20.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.557 176.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.462 ' HG3' ' HB3' ' A' ' 39' ' ' SER . 6.1 tp10 -63.6 143.65 57.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.328 178.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 13.2 p -79.36 152.98 30.11 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.327 175.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.557 HG12 ' HE3' ' A' ' 41' ' ' LYS . 58.8 t -57.94 -37.04 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.075 0.464 . . . . 0.0 110.839 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.538 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 1.6 t -71.6 -26.77 62.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -178.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.462 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 25.8 t -79.07 -29.63 43.54 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.002 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 57' ' ' LEU . 17.2 tp -63.32 -49.55 73.53 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.058 173.101 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.557 ' HE3' HG12 ' A' ' 37' ' ' VAL . 94.2 mttt -56.26 -44.82 80.1 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.631 176.337 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' HG13 ' A' ' 46' ' ' ILE . 32.3 t70 -59.89 -46.72 88.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.845 -178.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -62.03 -43.86 97.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 40' ' ' LEU . 70.5 mt -62.48 -35.93 72.36 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.714 176.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.97 -29.04 68.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.185 0.517 . . . . 0.0 111.312 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 42' ' ' ASP . 89.7 mt -72.04 -41.54 67.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.496 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -79.24 -55.71 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.02 0.438 . . . . 0.0 110.733 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -94.39 147.77 22.89 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.003 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -78.4 -5.34 52.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.631 -175.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.428 HG21 ' HB3' ' A' ' 55' ' ' MET . 7.7 m -64.81 126.18 90.46 Favored Pre-proline 0 N--CA 1.445 -0.676 0 CA-C-O 121.34 0.59 . . . . 0.0 111.526 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.71 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 38.5 Cg_exo -58.97 143.96 99.45 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.814 2.343 . . . . 0.0 111.33 173.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.546 HG23 ' HB3' ' A' ' 41' ' ' LYS . 49.7 mt -59.92 -39.0 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -173.53 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -78.45 -10.28 59.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.795 ' HG3' ' HB3' ' A' ' 88' ' ' SER . 4.3 mpt_? -93.29 -16.07 25.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.729 0.299 . . . . 0.0 111.361 -176.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.428 ' HB3' HG21 ' A' ' 50' ' ' THR . 22.8 ptt? -114.36 130.03 56.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.101 0.477 . . . . 0.0 110.977 -178.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -111.61 132.47 54.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.687 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.835 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . 19.8 mt -91.7 130.78 37.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.075 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.467 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 76.6 m-85 -126.94 133.96 50.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.874 0.368 . . . . 0.0 110.846 176.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -134.3 113.19 11.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.293 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.6 t 62.84 19.56 11.59 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.776 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.54 -9.58 58.97 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.145 -178.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.4 mt -84.94 128.57 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -84.73 111.67 19.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.602 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.835 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 16.0 mt -87.42 77.85 8.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.833 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.6 -34.82 8.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.406 -177.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -67.94 110.33 3.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.389 0.614 . . . . 0.0 111.498 -175.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.538 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 20.3 m-20 -65.92 -30.46 71.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.495 -173.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -81.95 -0.51 44.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -174.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.485 ' HE ' ' HA ' ' A' ' 69' ' ' ARG . 2.0 mmp_? -89.55 163.77 15.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.615 0.245 . . . . 0.0 110.825 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.578 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 14.8 m120 -111.55 155.43 23.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.627 HD11 HD13 ' A' ' 40' ' ' LEU . 73.0 mt -61.58 -50.86 70.92 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -175.526 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -59.74 -26.86 66.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.609 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.578 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 54.1 mm-40 -58.31 -34.79 70.98 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.929 0.395 . . . . 0.0 110.703 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -84.45 2.9 38.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.66 10.56 57.78 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.61 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.7 mt -72.91 109.33 4.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.208 0.528 . . . . 0.0 110.31 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.555 ' O ' HG21 ' A' ' 16' ' ' ILE . 4.1 t -107.37 -50.07 3.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.158 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 39.3 tt0 178.82 149.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.776 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.444 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 47.6 m-85 59.22 23.8 12.18 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.51 0.506 . . . . 0.0 111.816 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.4 p -70.58 131.5 44.06 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.245 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -85.92 109.65 18.88 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.8 mm -96.0 109.12 22.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.831 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.5 t -90.71 106.03 17.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.695 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.7 t -88.63 105.12 15.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.471 -177.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.467 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 27.0 m-85 -91.24 113.0 25.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.19 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.2 mt -81.88 122.14 27.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.186 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -98.82 -9.19 24.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.375 0.607 . . . . 0.0 109.763 178.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.795 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 35.9 t -163.46 150.39 12.37 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.514 176.338 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 41.7 pt -124.65 11.65 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.02 0.438 . . . . 0.0 110.688 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -79.97 126.63 31.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -80.98 148.8 29.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.232 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -120.28 -14.82 8.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -171.766 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -102.88 23.65 11.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.515 0.674 . . . . 0.0 109.629 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.158 -177.953 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.683 0.278 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.66 -169.29 40.75 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -138.4 137.63 37.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.93 0.395 . . . . 0.0 110.908 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -124.18 91.07 3.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.725 175.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -88.13 134.43 33.77 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -68.64 133.8 49.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.338 0.59 . . . . 0.0 112.024 -171.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.23 -175.75 2.86 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 173.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -67.72 117.07 9.14 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -63.21 128.65 36.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.19 -174.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.63 87.61 1.37 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.953 0.883 . . . . 0.0 109.003 169.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -102.37 11.24 38.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.68 -171.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.34 14.85 8.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.416 0.626 . . . . 0.0 110.809 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.3 t -86.23 160.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.145 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 14' ' ' ARG . 9.9 mmm180 -88.84 109.56 20.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.061 0.457 . . . . 0.0 111.147 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' HE2' ' OD2' ' A' ' 32' ' ' ASP . 0.8 OUTLIER -90.43 133.72 34.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.288 175.76 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.9 pt -109.47 159.45 8.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.936 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.445 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 69.2 m80 -100.94 112.08 24.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.788 177.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.3 m -97.54 132.39 42.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.165 0.507 . . . . 0.0 110.581 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.517 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 5.7 m -85.62 109.63 18.69 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.671 178.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.17 113.76 26.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 120.938 0.399 . . . . 0.0 110.491 -176.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.554 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 71.5 mmtt -91.58 107.11 18.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.39 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -110.03 150.86 42.02 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.133 175.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.16 -19.85 58.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.786 2.324 . . . . 0.0 112.565 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.0 m -93.14 -60.44 1.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.64 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -145.25 174.32 11.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.145 0.497 . . . . 0.0 111.321 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -115.68 142.42 46.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.007 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -154.48 174.11 15.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -122.82 140.65 52.7 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -178.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.0 t -122.23 137.14 56.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.214 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 55.3 mt-10 -89.29 109.97 20.8 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.171 0.51 . . . . 0.0 110.299 176.727 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.536 HG11 HD12 ' A' ' 40' ' ' LEU . 35.0 m -131.22 145.61 35.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.514 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.421 ' OD2' ' HE2' ' A' ' 15' ' ' LYS . 9.3 t0 -64.3 142.75 58.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 176.353 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -73.44 -16.82 61.3 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.616 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.7 p -97.58 9.93 41.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.019 0.438 . . . . 0.0 110.368 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -73.66 148.14 43.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.207 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.6 p -83.44 150.89 25.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.338 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.484 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 74.2 t -58.49 -34.73 51.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.614 -178.191 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.522 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -64.23 -35.07 79.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.894 0.378 . . . . 0.0 110.68 -178.766 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.459 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 34.4 t -80.24 -28.74 38.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 57' ' ' LEU . 18.3 tp -59.41 -52.28 66.27 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.784 176.486 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.67 ' HG3' HD11 ' A' ' 57' ' ' LEU . 48.6 mtmt -65.89 -32.84 74.58 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.887 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.518 ' O ' HG13 ' A' ' 46' ' ' ILE . 23.1 t70 -57.24 -45.89 83.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.481 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.546 ' HA ' HD12 ' A' ' 46' ' ' ILE . 65.2 mttm -68.58 -39.7 80.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.915 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 40' ' ' LEU . 61.9 mt -60.22 -37.45 73.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -65.24 -30.48 71.36 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.712 0.291 . . . . 0.0 111.122 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 43' ' ' LYS . 66.3 mt -72.23 -49.51 42.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.968 0.413 . . . . 0.0 110.709 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.9 t -71.2 -52.29 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.467 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -104.17 124.77 49.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.224 -177.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -78.08 70.57 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.496 0.665 . . . . 0.0 110.392 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.7 m -132.97 128.04 20.46 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.833 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.84 135.55 57.77 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.896 2.398 . . . . 0.0 112.476 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.39 -18.86 24.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.221 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -67.94 -26.35 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.339 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -94.97 -46.49 6.81 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -174.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' MET . . . . . 0.4 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 23.9 ptt? -80.52 116.55 20.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.535 0.683 . . . . 0.0 111.726 -173.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -111.72 133.14 54.15 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.445 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.869 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . 18.5 mt -90.6 140.24 29.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.22 -171.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.429 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 51.6 m-85 -131.67 139.43 49.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.382 174.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.492 ' CD2' HG12 ' A' ' 76' ' ' ILE . 40.6 t80 -130.96 112.92 13.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.071 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.4 t 61.89 -94.41 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.293 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.66 7.21 6.98 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 173.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.1 mt -98.95 129.25 49.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.09 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -86.48 134.24 33.69 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.75 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.869 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 56.5 mt -91.19 63.02 4.92 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.53 -23.9 29.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.323 -175.482 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -92.74 107.47 19.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.494 0.664 . . . . 0.0 111.262 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.522 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 1.1 m-20 -66.49 -33.39 75.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.654 -1.157 . . . . 0.0 112.639 -175.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -78.46 -12.93 60.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -171.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.448 ' HE ' ' HG3' ' A' ' 73' ' ' GLU . 4.9 mtp85 -86.78 152.14 22.76 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.004 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.513 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 72.2 m-20 -81.25 154.25 26.7 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.546 177.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.7 HD21 HD22 ' A' ' 40' ' ' LEU . 66.7 mt -59.94 -31.96 70.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.789 0.804 . . . . 0.0 109.378 174.2 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -55.71 -35.07 65.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.992 174.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 15.2 mm-40 -66.56 -23.32 66.19 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.195 -175.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -98.96 -12.84 20.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.538 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.26 38.82 9.62 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.249 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.492 HG12 ' CD2' ' A' ' 59' ' ' TYR . 43.8 mt -80.1 118.73 28.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.931 0.396 . . . . 0.0 110.233 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.6 t -101.4 -175.85 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.515 -173.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.577 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 10.9 tp10 -67.13 139.26 57.49 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.104 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 58.7 m-85 55.82 51.37 12.4 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.366 0.603 . . . . 0.0 110.898 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.457 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 4.4 p -97.79 145.28 26.54 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.358 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.517 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 4.3 mp0 -89.84 123.07 33.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.159 0.504 . . . . 0.0 110.94 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.48 112.57 40.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.118 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.554 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 37.1 t -87.48 110.7 20.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.674 -177.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 58.3 t -95.75 108.98 21.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.037 0.446 . . . . 0.0 110.449 -178.853 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.429 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 45.3 m-85 -91.56 118.66 30.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.674 176.803 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.1 mt -85.3 110.92 19.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.194 0.521 . . . . 0.0 109.907 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -111.68 115.62 29.41 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.012 -177.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.5 t -78.75 97.85 6.05 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.463 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.423 HD13 ' H ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -62.3 145.07 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.722 -179.233 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -106.21 172.52 6.77 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.858 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.437 ' HA ' ' HD3' ' A' ' 91' ' ' ARG . 21.7 mmt180 -88.38 101.74 14.19 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.174 0.512 . . . . 0.0 109.671 178.119 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.0 171.8 13.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.762 -172.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -94.55 -50.29 5.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.582 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 . . . . . 0 C--O 1.248 0.992 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.616 179.419 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.36 160.26 47.52 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.877 -0.678 . . . . 0.0 113.002 -177.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -119.76 142.74 48.28 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -89.18 -15.92 32.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.748 -168.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -92.06 -58.3 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.318 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -62.48 -32.47 73.37 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.945 0.402 . . . . 0.0 110.421 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -106.84 84.1 1.94 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 172.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -94.31 121.13 35.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.891 -172.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.541 ' HB3' ' HB3' ' A' ' 12' ' ' ALA . 45.3 m -138.34 168.5 19.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.322 -178.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -133.96 114.47 13.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.2 12.13 4.9 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.557 0.535 . . . . 0.0 111.995 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 9' ' ' SER . . . -105.02 15.3 27.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.575 0.702 . . . . 0.0 110.458 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.4 m -88.14 165.75 2.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.412 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -99.28 120.38 39.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.187 0.517 . . . . 0.0 111.697 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -91.0 136.22 33.22 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 171.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.9 pt -96.59 144.4 10.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-O 121.317 0.58 . . . . 0.0 111.271 -173.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' HIS . . . . . 0.421 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 8.4 m80 -82.47 100.19 9.91 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.298 175.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 m -93.07 141.76 14.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.495 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -90.64 109.28 20.45 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.2 t -95.51 109.54 22.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.065 0.46 . . . . 0.0 109.786 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.432 ' HG2' ' HG3' ' A' ' 26' ' ' GLN . 44.0 mtmt -96.71 101.05 12.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.326 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -92.64 152.05 41.6 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.119 171.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.39 -23.24 74.17 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.202 1.934 . . . . 0.0 111.547 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 m -87.56 -36.72 17.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.577 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -161.05 166.57 27.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.697 0.284 . . . . 0.0 110.826 -172.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.432 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 27.6 tt0 -122.79 126.42 47.4 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -146.77 160.08 42.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.035 0.445 . . . . 0.0 110.956 -177.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.45 139.23 39.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.229 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.6 t -121.81 139.1 49.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -89.72 102.56 15.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.195 0.521 . . . . 0.0 110.455 175.538 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.53 HG12 ' HD2' ' A' ' 43' ' ' LYS . 35.4 m -122.57 145.82 28.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.592 177.396 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.461 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 10.4 t0 -70.97 139.95 50.74 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -75.87 -12.24 60.12 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.026 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 p -98.75 12.36 35.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.182 0.515 . . . . 0.0 110.664 172.307 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.461 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 10.4 tp10 -83.65 158.69 21.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.556 176.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 p -92.82 157.43 16.4 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.58 -176.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.549 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 95.8 t -59.83 -33.8 53.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.454 -178.801 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.562 ' HB3' ' HB3' ' A' ' 67' ' ' ASP . 1.0 OUTLIER -62.58 -37.45 86.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.536 179.745 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.44 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 17.4 m -79.28 -26.14 42.36 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.093 0.473 . . . . 0.0 109.824 -179.178 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.558 HD13 HD11 ' A' ' 71' ' ' LEU . 16.0 tp -60.27 -49.03 79.23 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HE3' HG12 ' A' ' 37' ' ' VAL . 92.2 mttt -61.98 -41.08 97.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.525 176.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.46 ' O ' HG13 ' A' ' 46' ' ' ILE . 21.7 t70 -57.4 -48.09 80.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.663 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HD2' HG12 ' A' ' 31' ' ' VAL . 55.0 mttm -66.59 -43.47 84.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.213 -178.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.95 -39.65 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.486 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.67 -30.34 71.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.111 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.7 mt -75.22 -47.87 33.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.944 0.402 . . . . 0.0 110.894 178.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.75 -54.46 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.06 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -100.98 152.76 20.18 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.778 -177.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -93.41 81.04 4.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.372 0.606 . . . . 0.0 110.957 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' THR . . . . . 0.595 HG21 HD22 ' A' ' 86' ' ' LEU . 97.9 m -150.0 127.47 5.59 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.237 174.528 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -57.5 139.77 91.2 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.769 2.313 . . . . 0.0 111.577 173.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.71 -23.96 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 0.0 110.796 -178.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.541 ' HB3' ' HD3' ' A' ' 91' ' ' ARG . 63.4 mttp -76.56 -10.3 59.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.937 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -104.27 -45.64 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.602 0.239 . . . . 0.0 111.539 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -79.24 133.26 36.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.176 0.512 . . . . 0.0 111.37 -176.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -112.83 125.07 53.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.878 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.456 HD13 HD23 ' A' ' 40' ' ' LEU . 53.6 mt -87.74 128.87 35.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 -175.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' TYR . . . . . 0.583 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 51.8 m-85 -122.29 121.78 37.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 175.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -93.1 117.97 30.67 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 168.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.1 p 55.54 -95.87 0.06 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.263 0.625 . . . . 0.0 111.055 -172.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -125.76 10.15 7.56 Favored Glycine 0 N--CA 1.453 -0.194 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.6 mt -105.68 130.25 57.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.921 -0.639 . . . . 0.0 110.052 -175.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -85.37 141.47 29.99 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.036 0.446 . . . . 0.0 109.97 179.404 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.4 mt -89.95 88.3 7.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.161 0.505 . . . . 0.0 109.725 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.91 -35.54 17.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.112 -173.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -89.17 105.57 17.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.134 0.492 . . . . 0.0 111.54 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.562 ' HB3' ' HB3' ' A' ' 38' ' ' SER . 5.6 m-20 -63.23 -41.61 99.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.094 -178.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -68.15 -11.54 59.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.05 -176.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -77.89 143.96 37.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.805 0.336 . . . . 0.0 111.541 -177.013 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.545 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 14.4 m120 -80.41 149.53 30.12 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.558 HD11 HD13 ' A' ' 40' ' ' LEU . 66.3 mt -59.57 -31.01 69.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.691 0.758 . . . . 0.0 109.554 175.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -58.41 -36.94 74.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.946 175.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.545 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 10.4 mm-40 -66.02 -30.87 71.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.861 0.363 . . . . 0.0 110.649 -175.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -83.5 -13.28 54.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.876 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.86 37.93 12.43 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.757 -176.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.8 mt -85.44 120.54 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.05 0.452 . . . . 0.0 110.246 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.8 t -113.35 -174.85 2.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.691 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.449 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 26.0 tt0 -76.51 145.91 38.8 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PHE . . . . . 0.449 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 65.1 m-85 68.32 29.66 5.82 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.726 -176.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -85.84 164.32 17.59 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.166 174.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -106.62 119.07 38.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.401 0.619 . . . . 0.0 111.391 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.1 mm -108.87 106.55 20.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.034 173.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.583 ' HB ' ' HB2' ' A' ' 58' ' ' TYR . 12.2 t -89.83 122.14 40.84 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.818 -176.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.1 t -105.99 101.09 11.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.135 0.493 . . . . 0.0 110.755 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -95.46 119.21 33.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.115 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.595 HD22 HG21 ' A' ' 50' ' ' THR . 24.3 mt -85.53 116.01 23.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.166 -176.71 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.434 ' HA ' ' HZ2' ' A' ' 87' ' ' LYS . 2.0 mmpm? -85.85 115.09 23.28 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.24 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.5 m -76.79 60.3 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.403 0.62 . . . . 0.0 110.834 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.3 pt -114.47 133.73 59.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.633 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -90.27 95.37 10.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.852 177.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.541 ' HD3' ' HB3' ' A' ' 53' ' ' LYS . 46.6 mtp180 -88.61 106.65 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.049 0.452 . . . . 0.0 110.433 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -122.06 141.84 50.97 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.031 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -72.56 -21.29 61.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.378 0.609 . . . . 0.0 109.898 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.245 0.856 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.59 -174.068 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? . . . . . 0 N--CA 1.451 -0.407 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.9 pt -94.41 157.42 3.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.277 0.56 . . . . 0.0 110.729 -175.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.656 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 77.7 m80 -103.5 111.59 24.12 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.383 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -100.18 141.34 17.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.945 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -91.88 110.02 21.37 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.907 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.5 t -94.5 111.63 25.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.946 0.403 . . . . 0.0 109.957 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -108.61 114.5 28.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.671 -176.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.464 ' C ' ' H ' ' A' ' 24' ' ' SER . 27.4 m-85 -95.21 166.64 14.42 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.36 19.96 0.25 Allowed 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.758 2.306 . . . . 0.0 112.042 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 22' ' ' PHE . 13.9 p -150.63 -55.29 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.011 -176.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -119.34 165.21 14.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.18 -175.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -140.26 127.07 20.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.953 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -146.83 162.41 38.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.754 0.312 . . . . 0.0 110.376 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -111.43 141.15 45.36 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 t -126.93 139.62 51.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.083 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.656 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 50.3 mt-10 -88.92 112.92 23.88 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 121.422 0.63 . . . . 0.0 110.008 176.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.443 HG12 ' CD ' ' A' ' 43' ' ' LYS . 15.2 m -130.74 154.42 40.62 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.207 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -73.17 155.13 39.94 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.47 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -76.43 -19.83 57.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.007 0.432 . . . . 0.0 111.066 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.9 p -100.92 14.34 32.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.248 0.547 . . . . 0.0 110.504 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.415 ' HG3' ' HB2' ' A' ' 39' ' ' SER . 6.2 tp10 -63.51 140.03 58.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.296 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -74.4 154.42 38.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.268 178.349 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.7 -37.25 77.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.29 0.567 . . . . 0.0 109.716 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.577 ' HB3' ' CG ' ' A' ' 67' ' ' ASP . 2.8 p -62.18 -38.96 91.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.802 174.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.415 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 22.2 m -78.54 -22.06 47.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.23 0.538 . . . . 0.0 109.633 -174.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.771 HD23 HD13 ' A' ' 57' ' ' LEU . 15.9 tp -71.06 -50.0 38.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.52 -0.764 . . . . 0.0 108.988 173.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HB3' HG23 ' A' ' 52' ' ' ILE . 86.5 mttt -64.67 -33.6 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.785 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.448 ' O ' HG13 ' A' ' 46' ' ' ILE . 2.0 m-20 -54.74 -53.36 56.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.978 0.418 . . . . 0.0 110.591 174.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' CD ' HG12 ' A' ' 31' ' ' VAL . 57.9 mttp -62.18 -41.3 98.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.286 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 40' ' ' LEU . 68.1 mt -65.36 -38.15 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.66 0.267 . . . . 0.0 110.721 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -64.96 -30.26 71.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.989 0.423 . . . . 0.0 111.009 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 42' ' ' ASP . 86.4 mt -70.27 -32.09 49.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.005 0.431 . . . . 0.0 110.37 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.03 -54.95 7.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.514 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.558 ' CD ' ' H ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER -97.85 165.73 11.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.196 0.522 . . . . 0.0 110.585 -174.534 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.558 ' H ' ' CD ' ' A' ' 48' ' ' GLU . 32.5 m-80 -76.83 -27.88 55.32 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.419 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.565 HG21 HD22 ' A' ' 86' ' ' LEU . 21.3 m -57.04 126.46 73.29 Favored Pre-proline 0 C--O 1.235 0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 112.483 -175.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.712 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 39.7 Cg_exo -60.75 151.72 74.69 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 123.229 2.62 . . . . 0.0 112.164 171.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 41' ' ' LYS . 53.3 mt -60.36 -47.01 94.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -173.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -68.92 -21.18 64.23 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.712 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 3.6 mpt_? -89.76 -29.35 18.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.734 -0.387 . . . . 0.0 111.909 -174.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.564 ' HB3' HG21 ' A' ' 50' ' ' THR . 21.9 ptt? -90.47 129.09 36.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.986 0.422 . . . . 0.0 110.543 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.501 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 12.4 mm-40 -110.4 137.46 48.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.549 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.771 HD13 HD23 ' A' ' 40' ' ' LEU . 31.9 mt -99.0 128.96 45.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.038 -176.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -118.79 121.85 41.02 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.761 0.315 . . . . 0.0 110.589 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -114.94 102.06 9.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 m 51.48 33.13 9.79 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.666 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 113.44 -18.01 20.8 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.504 -0.855 . . . . 0.0 113.106 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.13 125.56 51.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 117.016 0.408 . . . . 0.0 110.641 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -79.66 118.7 21.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.835 174.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.639 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 22.5 mt -85.5 79.33 9.45 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.45 -8.86 18.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.558 -175.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.526 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . 65.4 m-20 -89.6 95.59 10.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.235 0.541 . . . . 0.0 110.839 -178.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.577 ' CG ' ' HB3' ' A' ' 38' ' ' SER . 17.9 t70 -58.92 -26.78 64.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.592 -176.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -86.58 -13.77 44.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.683 -173.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.526 ' HG3' ' HB3' ' A' ' 66' ' ' ASP . 63.4 mtp180 -89.47 166.87 13.42 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.95 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.508 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 90.8 m-20 -103.11 170.41 7.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.383 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.689 HD11 HD13 ' A' ' 40' ' ' LEU . 63.6 mt -68.32 -32.74 73.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.003 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.11 -28.42 70.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.37 -34.64 75.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.155 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -92.24 -12.33 32.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.52 55.72 3.85 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.028 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.484 HD12 HD22 ' A' ' 71' ' ' LEU . 59.2 mt -100.56 122.33 52.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -178.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 t -110.1 -171.65 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.623 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.479 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 35.5 tt0 -74.47 152.72 39.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.633 0.254 . . . . 0.0 110.948 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 68.11 21.82 8.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.483 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -73.06 146.06 46.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.381 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -100.51 100.9 11.71 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.12 0.486 . . . . 0.0 110.105 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.5 mm -94.43 106.7 18.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.646 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.66 115.65 29.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.534 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.5 t -97.18 107.59 20.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.986 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -96.13 118.76 33.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.239 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.565 HD22 HG21 ' A' ' 50' ' ' THR . 21.8 mt -85.93 119.6 26.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.728 -176.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 C--N 1.322 -0.625 0 CA-C-O 121.421 0.629 . . . . 0.0 110.089 -179.821 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt . . . . . 0 N--CA 1.441 -0.912 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.0 pt -88.16 142.9 12.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-O 121.495 0.664 . . . . 0.0 110.797 -172.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.5 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 66.5 m80 -94.21 101.17 13.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.917 -177.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 29' ' ' VAL . 35.3 m -90.28 147.99 4.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 -177.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 m -96.57 109.5 22.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.7 t -97.28 112.7 29.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.087 0.47 . . . . 0.0 109.904 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.595 ' HD2' ' HG3' ' A' ' 81' ' ' GLU . 50.3 mtpt -107.32 106.06 16.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.608 -174.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -92.85 160.45 33.99 Favored Pre-proline 0 C--N 1.318 -0.795 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.0 -18.91 64.1 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.463 2.108 . . . . 0.0 112.506 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.2 m -103.32 -28.44 11.85 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -163.18 165.08 24.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.046 0.45 . . . . 0.0 111.295 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.488 ' OE1' ' HE3' ' A' ' 21' ' ' LYS . 22.3 tt0 -129.45 136.59 50.1 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.028 178.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -148.6 166.92 26.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.673 0.273 . . . . 0.0 110.855 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -103.83 140.6 37.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.309 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 18' ' ' VAL . 57.8 t -126.28 140.86 47.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.5 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 43.9 mt-10 -92.12 120.05 32.36 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.443 0.639 . . . . 0.0 110.672 175.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.755 HG11 HD12 ' A' ' 40' ' ' LEU . 33.9 m -133.21 158.44 43.07 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.517 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -75.74 152.82 37.34 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.888 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -72.18 -23.84 61.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.801 0.334 . . . . 0.0 111.072 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.9 p -103.47 13.97 32.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.189 0.519 . . . . 0.0 110.189 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 33.0 tt0 -67.79 149.18 50.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.173 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 32.3 p -84.9 157.52 20.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.754 0.312 . . . . 0.0 110.689 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.476 HG12 ' HE3' ' A' ' 41' ' ' LYS . 61.4 t -60.36 -26.11 36.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.666 0.746 . . . . 0.0 109.788 176.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 t -63.86 -48.34 77.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.856 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.6 m -76.46 -21.56 55.71 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.534 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.755 HD12 HG11 ' A' ' 31' ' ' VAL . 12.1 tp -65.47 -53.98 34.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.501 175.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.542 ' HB3' HG23 ' A' ' 52' ' ' ILE . 89.5 mttt -62.26 -34.99 77.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.492 178.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.507 ' O ' HG13 ' A' ' 46' ' ' ILE . 21.8 t70 -56.46 -53.6 55.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.154 -177.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.452 ' CE ' HG12 ' A' ' 31' ' ' VAL . 37.3 mtmm -69.26 -33.14 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.74 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 40' ' ' LEU . 66.6 mt -62.07 -37.89 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 175.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -70.02 -29.77 66.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 42' ' ' ASP . 91.0 mt -73.69 -39.46 53.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.907 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.5 t -76.3 -47.85 29.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.154 0.502 . . . . 0.0 110.708 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 4.0 mm-40 -95.57 -170.27 2.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.567 -175.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -106.62 -40.53 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.931 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.447 HG21 ' HB3' ' A' ' 55' ' ' MET . 29.6 m -49.85 123.61 15.38 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.062 -176.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.415 ' HB2' ' CD ' ' A' ' 54' ' ' ARG . 40.7 Cg_exo -57.2 148.87 67.36 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.028 2.486 . . . . 0.0 111.812 173.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 41' ' ' LYS . 66.3 mt -60.73 -35.67 65.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.764 -173.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -78.45 -10.06 59.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.112 -174.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.529 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -103.56 -16.9 15.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 111.312 -175.663 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.447 ' HB3' HG21 ' A' ' 50' ' ' THR . 24.5 ptt? -110.26 135.78 50.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.285 178.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -110.77 132.51 54.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.374 -178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.466 HD13 HD23 ' A' ' 40' ' ' LEU . 54.7 mt -92.74 128.93 38.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.524 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.464 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 74.8 m-85 -121.49 120.9 36.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.888 0.375 . . . . 0.0 110.804 176.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -90.7 102.1 14.85 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.0 m 60.76 17.06 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.16 -16.32 20.23 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.125 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 59.9 mt -80.0 126.68 39.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 122.262 0.225 . . . . 0.0 110.54 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -78.47 118.91 21.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.819 0.342 . . . . 0.0 110.474 -177.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.8 mt -83.6 88.62 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.027 0.442 . . . . 0.0 110.21 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.87 -38.47 16.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.229 -174.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.509 ' HB2' ' HB2' ' A' ' 69' ' ' ARG . 24.9 m-20 -78.87 105.92 10.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.876 0.37 . . . . 0.0 110.599 -175.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -71.64 -27.38 63.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.577 0.703 . . . . 0.0 110.198 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -84.68 -9.98 57.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.613 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.509 ' HB2' ' HB2' ' A' ' 66' ' ' ASP . 12.4 mtt85 -83.08 152.1 25.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.163 0.506 . . . . 0.0 112.144 -176.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.488 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 8.5 m-20 -79.19 161.63 26.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.458 175.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.603 HD11 HD13 ' A' ' 40' ' ' LEU . 67.8 mt -68.0 -32.76 73.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.862 0.363 . . . . 0.0 110.679 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.417 ' OD1' ' HB3' ' A' ' 70' ' ' ASN . 2.5 p-10 -63.01 -27.56 69.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 177.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 14.3 mm-40 -55.62 -39.17 70.44 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.971 0.415 . . . . 0.0 110.906 175.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.447 ' HB2' HG13 ' A' ' 76' ' ' ILE . 81.3 m-85 -94.49 0.19 55.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.653 -178.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.82 30.37 61.71 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.411 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 71' ' ' LEU . 58.0 mt -76.13 119.11 23.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.082 0.468 . . . . 0.0 111.164 -177.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.2 t -114.55 -168.85 1.43 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.174 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.523 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 42.3 tt0 -72.7 147.81 45.31 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 42.3 m-85 62.71 33.78 15.25 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.511 0.672 . . . . 0.0 110.322 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 p -78.02 133.85 37.89 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.726 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.595 ' HG3' ' HD2' ' A' ' 21' ' ' LYS . 40.8 tt0 -90.9 103.95 16.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.343 0.592 . . . . 0.0 110.585 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.5 mm -98.6 108.49 22.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.854 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 t -91.3 122.31 42.59 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.567 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.51 103.74 15.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.099 0.476 . . . . 0.0 111.0 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.464 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 53.1 m-85 -91.61 130.63 37.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.727 176.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 42.4 mt -101.99 129.5 48.3 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.65 -174.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt . . . . . 0 C--N 1.325 -0.468 0 CA-C-O 121.762 0.791 . . . . 0.0 110.605 -178.424 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 mptt . . . . . 0 N--CA 1.449 -0.475 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.591 HG21 ' O ' ' A' ' 77' ' ' THR . 24.4 pt -110.14 172.42 2.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.429 -173.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.649 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 49.2 m80 -112.65 103.3 11.34 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.651 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 29' ' ' VAL . 34.7 m -87.43 146.33 6.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.53 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.524 ' HB ' ' HG2' ' A' ' 81' ' ' GLU . 27.3 m -100.73 109.79 21.84 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.2 t -91.63 116.76 33.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.109 0.48 . . . . 0.0 110.485 -177.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -103.31 105.69 16.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.127 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.421 ' C ' ' H ' ' A' ' 24' ' ' SER . 11.6 m-85 -94.29 156.62 38.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.92 33.86 0.28 Allowed 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 122.738 2.292 . . . . 0.0 112.698 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 22' ' ' PHE . 3.4 p -156.32 -53.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.602 -178.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.04 165.14 27.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.778 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -125.68 141.05 52.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.383 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -152.8 158.96 43.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m -101.36 144.55 30.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.586 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.401 ' O ' HG22 ' A' ' 18' ' ' VAL . 42.0 t -132.04 142.46 42.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.649 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 49.9 mt-10 -91.49 120.61 32.46 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.371 0.605 . . . . 0.0 110.889 177.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG12 ' HD2' ' A' ' 43' ' ' LYS . 5.6 m -137.32 154.58 30.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.195 177.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -75.0 152.37 38.74 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.85 -19.17 59.1 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.479 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.9 p -97.57 13.78 28.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.239 0.542 . . . . 0.0 110.194 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HG3' ' HB2' ' A' ' 39' ' ' SER . 5.4 tp10 -65.12 147.91 52.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.721 -178.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.2 149.11 29.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.407 173.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.516 HG12 ' HE3' ' A' ' 41' ' ' LYS . 53.7 t -59.18 -32.31 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.119 0.485 . . . . 0.0 110.39 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.619 ' HB3' ' HB3' ' A' ' 67' ' ' ASP . 12.4 p -60.98 -39.75 90.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.921 175.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.485 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 20.0 m -79.58 -17.63 53.47 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.036 -175.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.547 HD13 HD11 ' A' ' 71' ' ' LEU . 18.7 tp -72.69 -52.43 15.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.16 174.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.525 ' HB3' HG23 ' A' ' 52' ' ' ILE . 90.8 mttt -59.8 -37.51 79.34 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.067 176.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.414 ' O ' HG13 ' A' ' 46' ' ' ILE . 9.3 t70 -54.49 -54.05 46.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.046 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.575 ' HD2' HG12 ' A' ' 31' ' ' VAL . 62.2 mttp -62.95 -41.18 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.349 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.18 -35.45 75.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.823 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -71.13 -30.86 67.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.919 0.39 . . . . 0.0 111.136 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.7 mt -69.73 -27.77 34.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.341 0.591 . . . . 0.0 109.467 176.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.2 t -78.49 -60.04 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.319 175.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -111.01 152.34 26.95 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.195 0.521 . . . . 0.0 111.649 -168.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -71.6 -8.07 51.74 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.925 -171.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.535 HG21 HD22 ' A' ' 86' ' ' LEU . 26.0 m -70.3 123.25 88.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 121.316 0.579 . . . . 0.0 111.612 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.474 ' HG2' ' HD2' ' A' ' 54' ' ' ARG . 48.9 Cg_exo -56.52 143.29 88.52 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.452 2.768 . . . . 0.0 112.531 173.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.525 HG23 ' HB3' ' A' ' 41' ' ' LYS . 56.4 mt -60.73 -40.65 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.015 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -72.82 -9.68 58.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.474 ' HD2' ' HG2' ' A' ' 51' ' ' PRO . 60.1 mtt180 -100.3 -40.22 7.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.929 0.395 . . . . 0.0 111.296 -178.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.401 ' HB3' HG21 ' A' ' 50' ' ' THR . 26.0 ptt? -85.38 124.81 32.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.789 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.411 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 19.6 tt0 -111.68 131.06 55.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.472 -178.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.697 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . 41.2 mt -88.38 136.93 32.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.927 -174.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -128.81 122.27 30.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 175.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -101.43 107.36 18.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.0 t 64.53 -79.63 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.636 0.585 . . . . 0.0 110.208 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -143.64 8.53 2.05 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 55.9 mt -95.42 125.05 48.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.412 -0.394 . . . . 0.0 110.019 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -79.37 113.02 17.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.231 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.697 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 56.1 mt -83.44 77.16 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.378 0.608 . . . . 0.0 110.488 -177.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.36 -53.78 4.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.185 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -59.03 112.72 1.78 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.226 0.536 . . . . 0.0 111.661 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.619 ' HB3' ' HB3' ' A' ' 38' ' ' SER . 11.8 m-20 -76.43 -34.46 58.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.36 -177.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -76.17 -5.16 45.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.005 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -83.59 163.26 20.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.031 0.443 . . . . 0.0 111.101 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.455 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 5.1 m-20 -100.08 152.99 19.59 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.191 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 40' ' ' LEU . 60.1 mt -65.1 -36.85 85.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.679 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.455 ' OD1' ' HB3' ' A' ' 70' ' ' ASN . 3.5 p-10 -59.88 -28.09 67.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.545 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.455 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 42.3 mt-10 -66.54 -30.4 70.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.594 0.235 . . . . 0.0 111.225 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -86.95 -7.0 58.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.673 0.273 . . . . 0.0 111.373 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.33 24.78 18.01 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.123 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.541 HG23 ' OG ' ' A' ' 80' ' ' SER . 59.4 mt -82.72 106.72 13.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.318 0.58 . . . . 0.0 110.006 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.591 ' O ' HG21 ' A' ' 16' ' ' ILE . 1.7 t -108.82 -54.42 2.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.883 -174.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.555 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 9.5 tp10 -172.57 144.78 1.49 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.555 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 61.3 m-85 56.86 26.73 11.98 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.764 0.425 . . . . 0.0 111.713 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.541 ' OG ' HG23 ' A' ' 76' ' ' ILE . 6.0 p -73.68 125.25 27.62 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.524 ' HG2' ' HB ' ' A' ' 19' ' ' THR . 48.3 mt-10 -85.95 128.3 34.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.643 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.8 mm -112.91 117.72 56.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.5 t -91.84 119.1 38.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.0 t -96.12 103.69 14.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.196 0.522 . . . . 0.0 110.72 -176.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -91.36 112.4 24.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.214 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.535 HD22 HG21 ' A' ' 50' ' ' THR . 25.7 mt -80.34 103.41 10.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.854 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' A' ' 56' ' ' GLN . 23.6 mmtp . . . . . 0 C--N 1.326 -0.415 0 CA-C-O 122.018 0.913 . . . . 0.0 108.643 178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.448 -0.559 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.495 HG23 ' HG2' ' A' ' 33' ' ' ARG . 31.8 pt -88.11 143.57 10.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.193 0.521 . . . . 0.0 110.229 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.432 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 59.6 m80 -91.27 102.65 15.36 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.382 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.7 m -91.36 141.27 14.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.224 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -101.39 109.84 21.74 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 177.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.74 116.29 31.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.707 -174.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.491 ' HE3' ' HG2' ' A' ' 81' ' ' GLU . 1.7 mptm? -94.68 110.13 22.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.078 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 5.7 m-85 -112.33 148.69 39.69 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.609 172.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -67.62 -10.59 29.25 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.133 1.889 . . . . 0.0 111.259 172.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 m -95.6 -37.81 10.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.013 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 20.1 ptpt -167.52 174.42 7.87 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.331 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -131.67 133.13 44.56 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -151.73 161.84 42.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.86 0.362 . . . . 0.0 111.188 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -107.79 143.69 36.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.812 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.1 t -130.14 141.7 45.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.349 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -89.82 109.15 20.16 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.272 0.558 . . . . 0.0 110.275 172.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.0 m -121.18 153.6 24.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.709 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 12.0 t70 -69.47 153.58 43.3 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.495 ' HG2' HG23 ' A' ' 16' ' ' ILE . 95.7 mtt180 -66.71 -28.05 68.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.261 0.553 . . . . 0.0 110.689 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.4 p -98.82 14.53 28.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.676 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 4.9 tp10 -58.0 129.81 43.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.25 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -71.72 154.58 41.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.296 176.719 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.432 HG12 ' HE3' ' A' ' 41' ' ' LYS . 87.0 t -61.78 -36.48 73.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.327 0.585 . . . . 0.0 109.787 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.6 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 1.7 p -62.94 -34.16 76.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.765 174.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 m -79.75 -32.49 41.05 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.957 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.641 HD13 HD11 ' A' ' 71' ' ' LEU . 18.4 tp -62.38 -44.87 95.44 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.657 176.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HE3' HG12 ' A' ' 37' ' ' VAL . 92.3 mttt -58.26 -44.85 88.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.79 177.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.518 ' O ' HG13 ' A' ' 46' ' ' ILE . 33.6 t70 -63.54 -43.19 97.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.468 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -54.77 -50.48 68.35 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.629 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.71 -38.87 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.823 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.77 -30.87 71.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.517 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 42' ' ' ASP . 98.9 mt -73.36 -36.83 49.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.973 0.416 . . . . 0.0 110.922 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.0 t -81.13 -49.99 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.072 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -93.12 -171.62 2.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -99.49 -45.14 5.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.255 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.46 HG21 ' HB3' ' A' ' 55' ' ' MET . 16.4 m -46.3 126.75 7.58 Favored Pre-proline 0 C--O 1.236 0.375 0 CA-C-N 114.799 -1.091 . . . . 0.0 113.274 -172.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 50' ' ' THR . 35.6 Cg_exo -60.27 147.06 95.06 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 123.406 2.737 . . . . 0.0 112.039 171.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.43 ' CG2' ' HD3' ' A' ' 41' ' ' LYS . 84.8 mt -61.43 -29.06 45.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.742 -176.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HE3' ' HB2' ' A' ' 53' ' ' LYS . 48.8 mtmt -63.43 -37.89 89.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.952 0.406 . . . . 0.0 111.96 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 54' ' ' ARG . 48.9 mtt180 -92.06 -36.03 13.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.834 -168.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.46 ' HB3' HG21 ' A' ' 50' ' ' THR . 26.7 ptt? -83.01 130.01 35.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.11 0.481 . . . . 0.0 111.008 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -115.19 135.76 53.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.786 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.58 HD13 HD23 ' A' ' 40' ' ' LEU . 43.3 mt -95.6 128.76 42.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.171 -173.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.497 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 63.8 m-85 -129.23 137.98 51.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.415 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -123.45 112.57 17.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.151 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.2 t 65.79 -88.67 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 O-C-N 123.611 0.57 . . . . 0.0 110.051 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.77 9.56 3.67 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 173.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.4 mt -98.34 126.58 51.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.111 -0.545 . . . . 0.0 110.513 -176.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -80.45 120.02 23.9 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.925 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.3 mt -80.66 80.3 7.14 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.93 -33.57 13.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.1 -175.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.484 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 59.3 m-20 -71.82 96.67 1.68 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.086 0.469 . . . . 0.0 110.663 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.6 ' OD2' ' HB3' ' A' ' 38' ' ' SER . 17.2 t70 -66.52 -27.54 67.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.541 -178.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -82.21 -11.38 58.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.527 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -85.67 164.79 17.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 111.494 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.56 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 1.8 m-20 -106.31 166.99 10.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.467 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.641 HD11 HD13 ' A' ' 40' ' ' LEU . 56.5 mt -64.1 -38.63 91.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.855 0.36 . . . . 0.0 111.318 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -59.36 -27.95 66.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.111 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 6.1 mm-40 -59.97 -33.33 71.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.79 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.484 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 62.5 m-85 -97.29 -5.57 36.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.931 0.396 . . . . 0.0 110.712 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.01 26.42 53.16 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.31 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.502 HD12 HD22 ' A' ' 71' ' ' LEU . 52.7 mt -70.6 113.46 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.156 0.503 . . . . 0.0 110.558 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 t -103.38 -168.43 1.51 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.133 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 40.6 tt0 -78.0 151.03 33.79 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 70.9 22.15 4.78 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.615 0.721 . . . . 0.0 109.85 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -75.96 126.31 30.76 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.514 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.491 ' HG2' ' HE3' ' A' ' 21' ' ' LYS . 60.6 mt-10 -85.78 99.63 11.48 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.41 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.2 mm -84.75 111.91 21.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.427 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 t -91.54 112.18 25.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.779 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 43.3 t -98.8 109.94 25.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.188 0.518 . . . . 0.0 110.184 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.497 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 39.3 m-85 -90.91 109.49 20.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.253 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.403 HD22 HG21 ' A' ' 50' ' ' THR . 16.8 mt -82.95 108.33 16.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.126 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.99 179.24 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mptt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 121.09 0.471 . . . . 0.0 110.119 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -99.93 162.39 3.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.748 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.607 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 67.2 m80 -106.75 108.09 19.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.245 -178.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.8 m -97.12 146.05 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.688 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.0 m -103.08 112.33 25.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.406 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.9 t -94.61 119.16 42.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.635 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.768 ' HD2' ' HG2' ' A' ' 81' ' ' GLU . 39.8 mtpt -99.65 107.24 19.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.997 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.529 ' HZ ' ' SD ' ' A' ' 55' ' ' MET . 1.1 m-85 -115.05 150.72 44.72 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.385 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.461 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 15.9 Cg_endo -60.31 -24.95 79.03 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.381 2.054 . . . . 0.0 110.88 170.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 m -72.21 -50.76 24.98 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.397 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -169.66 173.98 6.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.872 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -123.71 126.05 45.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 175.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -142.38 167.61 21.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.808 0.337 . . . . 0.0 111.488 -174.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -110.77 141.24 44.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.541 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.0 t -127.73 142.96 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.369 -0.378 . . . . 0.0 109.983 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.607 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 46.7 mt-10 -94.85 120.25 34.76 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.379 0.609 . . . . 0.0 110.344 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.548 HG11 HD12 ' A' ' 40' ' ' LEU . 11.5 m -136.96 152.17 28.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.309 -178.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.521 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 11.4 t70 -75.12 155.82 36.65 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.486 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -70.39 -33.24 71.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.217 0.532 . . . . 0.0 110.235 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.7 p -93.9 13.63 22.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.35 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 24.5 tt0 -73.58 141.99 46.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.467 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.9 p -85.45 154.57 21.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.615 0.245 . . . . 0.0 111.074 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.605 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 60.9 t -58.61 -29.95 40.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.07 0.462 . . . . 0.0 110.643 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.602 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 7.8 t -62.15 -42.06 98.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.498 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.1 m -71.9 -33.64 68.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.008 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 71' ' ' LEU . 11.6 tp -60.43 -52.2 66.22 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.854 178.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -57.68 -44.52 85.84 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.942 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.498 ' O ' HG13 ' A' ' 46' ' ' ILE . 23.3 t70 -56.6 -48.39 77.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.977 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.485 ' NZ ' ' HA ' ' A' ' 31' ' ' VAL . 93.8 mttt -59.35 -48.56 81.16 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.42 179.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.3 mt -61.14 -38.07 78.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.598 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -64.06 -29.92 71.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.387 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 42' ' ' ASP . 83.7 mt -75.67 -37.0 35.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.994 0.426 . . . . 0.0 110.615 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -78.79 -51.53 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.4 141.36 32.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.916 -177.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -81.89 40.48 0.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.191 0.52 . . . . 0.0 110.883 -175.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.5 m -116.64 117.56 37.79 Favored Pre-proline 0 N--CA 1.447 -0.594 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.814 -178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.526 ' HD2' ' HD2' ' A' ' 54' ' ' ARG . 72.2 Cg_exo -51.06 141.87 36.36 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.316 2.677 . . . . 0.0 112.451 173.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.38 -28.44 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.649 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -65.46 -20.32 66.31 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HD2' ' HD2' ' A' ' 51' ' ' PRO . 99.1 mtt180 -91.34 -40.25 11.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.883 0.373 . . . . 0.0 111.075 -176.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.529 ' SD ' ' HZ ' ' A' ' 22' ' ' PHE . 26.5 ptt? -93.04 123.87 36.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.904 -174.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -106.56 133.69 50.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.954 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.2 mt -93.35 128.49 39.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.535 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 77.4 m-85 -128.59 139.48 52.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.71 176.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.463 ' CD2' HG12 ' A' ' 76' ' ' ILE . 33.7 t80 -137.21 115.71 11.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.21 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.7 p 52.83 32.3 12.11 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.503 0.721 . . . . 0.0 111.78 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.81 0.57 83.59 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.919 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.1 mt -91.3 126.43 43.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -81.51 117.6 22.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.121 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.2 mt -82.54 75.57 9.44 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.62 -21.3 18.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.008 -175.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.445 ' HB2' ' CD ' ' A' ' 69' ' ' ARG . 69.3 m-20 -98.25 112.35 24.37 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.337 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.605 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 15.8 m-20 -76.27 -20.37 57.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.714 -175.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -87.48 -8.85 55.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.0 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.472 ' HD3' ' OH ' ' A' ' 74' ' ' TYR . 14.3 mtp180 -81.94 151.7 27.1 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 120.906 0.384 . . . . 0.0 110.248 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.579 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 2.9 m-20 -85.79 158.26 20.04 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.158 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.657 HD11 HD13 ' A' ' 40' ' ' LEU . 74.6 mt -65.77 -34.88 79.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.883 0.373 . . . . 0.0 110.826 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -64.74 -27.57 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.997 178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.579 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 11.2 mm-40 -57.93 -43.62 86.4 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.083 0.468 . . . . 0.0 110.264 177.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.472 ' OH ' ' HD3' ' A' ' 69' ' ' ARG . 90.6 m-85 -78.97 -10.75 59.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.874 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.86 30.77 22.62 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.987 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.463 HG12 ' CD2' ' A' ' 59' ' ' TYR . 49.7 mt -79.11 113.71 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.032 0.444 . . . . 0.0 110.729 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.5 t -106.51 -171.39 1.88 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.522 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.461 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 42.1 tt0 -71.19 149.58 46.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.669 0.271 . . . . 0.0 110.484 178.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.0 t80 66.61 26.41 9.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.799 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 p -74.28 125.14 27.8 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.226 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.768 ' HG2' ' HD2' ' A' ' 21' ' ' LYS . 30.4 tt0 -90.73 106.19 18.34 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.206 0.527 . . . . 0.0 110.005 -176.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.0 mm -90.52 112.73 25.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.004 -178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.2 t -88.48 114.87 27.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.673 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.425 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 62.0 t -92.22 112.16 25.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.176 0.512 . . . . 0.0 110.624 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.535 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 51.9 m-85 -99.51 121.32 40.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.646 176.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 55' ' ' MET . 41.4 mt -88.8 145.8 25.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.965 0.412 . . . . 0.0 110.655 -177.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.682 ' HE2' ' HA ' ' A' ' 87' ' ' LYS . 11.0 mmpt? . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.092 176.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.45 -0.456 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.7 pt -93.76 143.74 10.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 121.148 0.499 . . . . 0.0 109.842 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.63 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 77.8 m80 -95.19 103.25 15.1 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.005 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -90.89 143.54 11.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -177.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.408 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 26.3 m -93.12 109.99 21.48 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.064 177.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.43 113.75 28.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.16 0.505 . . . . 0.0 110.437 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -97.74 108.64 21.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.599 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -102.78 153.02 38.52 Favored Pre-proline 0 C--N 1.317 -0.847 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 170.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -58.78 -25.12 74.81 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.443 2.095 . . . . 0.0 111.554 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 m -82.04 -54.66 5.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.052 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -153.68 172.02 17.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.05 0.452 . . . . 0.0 111.328 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -120.93 139.34 53.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.991 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -153.46 162.98 40.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.454 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 m -106.37 142.77 35.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.9 t -127.96 140.51 48.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.271 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.63 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 50.6 mt-10 -87.38 119.55 27.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.58 0.705 . . . . 0.0 110.488 175.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.581 HG11 HD12 ' A' ' 40' ' ' LEU . 35.7 m -132.67 147.16 31.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.423 177.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 11.8 t70 -70.0 155.57 40.4 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -76.27 -19.29 58.45 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.102 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.0 p -100.57 14.07 32.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.049 173.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 3.9 tp10 -60.14 133.76 56.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.239 175.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 4.7 p -72.23 152.86 41.92 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.38 175.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.555 HG12 ' HE3' ' A' ' 41' ' ' LYS . 40.7 t -60.97 -31.21 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.659 0.743 . . . . 0.0 109.317 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 t -61.09 -40.18 92.72 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.594 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.412 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 50.0 m -79.74 -25.29 41.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.474 -175.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.588 HD23 HD13 ' A' ' 57' ' ' LEU . 16.5 tp -60.55 -52.15 66.42 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 173.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.555 ' HE3' HG12 ' A' ' 37' ' ' VAL . 82.1 mttt -63.99 -39.73 94.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.535 176.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' HG13 ' A' ' 46' ' ' ILE . 18.1 t70 -56.47 -50.63 71.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.38 -176.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -71.65 -33.01 68.54 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 40' ' ' LEU . 77.0 mt -63.0 -35.73 72.77 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 172.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -68.92 -29.03 67.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.894 0.378 . . . . 0.0 111.26 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.9 mt -75.37 -40.63 42.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.802 0.335 . . . . 0.0 110.532 178.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.5 t -77.56 -51.27 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.207 0.527 . . . . 0.0 110.814 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -101.21 148.38 25.17 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.153 -176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -87.3 13.33 9.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.965 0.412 . . . . 0.0 111.493 -173.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.445 HG21 ' HB3' ' A' ' 55' ' ' MET . 7.3 m -80.56 129.02 70.35 Favored Pre-proline 0 N--CA 1.446 -0.626 0 CA-C-O 121.064 0.459 . . . . 0.0 111.076 -178.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.76 135.55 69.94 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.982 2.455 . . . . 0.0 112.053 172.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 41' ' ' LYS . 53.1 mt -61.12 -37.17 76.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.089 -176.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -69.19 -14.7 63.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -107.53 -30.63 8.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.445 ' HB3' HG21 ' A' ' 50' ' ' THR . 26.0 ptt? -87.94 114.27 24.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.277 0.56 . . . . 0.0 110.646 176.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -103.11 134.45 46.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.501 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.588 HD13 HD23 ' A' ' 40' ' ' LEU . 18.6 mt -94.32 128.3 40.74 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.111 -176.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.603 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 48.5 m-85 -119.26 129.62 55.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.015 0.435 . . . . 0.0 111.045 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -126.01 120.45 30.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.792 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t 65.23 -92.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.54 0.525 . . . . 0.0 109.717 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.93 19.79 3.27 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 174.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 42.1 mt -120.57 132.32 70.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.621 -0.29 . . . . 0.0 110.432 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.603 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 15.3 pt-20 -85.36 138.65 32.14 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 171.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.4 mt -82.08 73.77 9.1 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.627 0.727 . . . . 0.0 110.17 -174.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.74 -43.91 52.5 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.063 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.581 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . 8.4 m-20 -63.79 119.57 10.21 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.009 0.433 . . . . 0.0 109.948 178.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -96.1 -27.77 14.92 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.944 -174.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -86.52 -3.76 59.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.018 -173.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.581 ' HG3' ' HB3' ' A' ' 66' ' ' ASP . 13.4 mtp180 -91.24 168.47 11.58 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.835 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 8.7 m120 -98.55 160.54 14.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.268 177.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.577 HD11 HD13 ' A' ' 40' ' ' LEU . 72.2 mt -63.33 -31.98 73.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.707 0.289 . . . . 0.0 111.516 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -62.44 -27.71 69.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.077 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -58.96 -33.28 70.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.747 0.308 . . . . 0.0 111.489 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.498 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 89.7 m-85 -89.69 -2.82 58.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.134 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.18 31.5 59.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.915 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.406 HG13 ' HB2' ' A' ' 74' ' ' TYR . 53.5 mt -71.14 128.48 34.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.417 0.627 . . . . 0.0 111.319 -177.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.0 t -103.86 -175.48 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.998 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.437 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 29.9 tt0 -85.63 146.86 26.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.648 0.261 . . . . 0.0 110.555 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.9 t80 65.67 25.91 11.51 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.625 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -70.52 134.68 47.93 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.852 176.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.408 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 35.3 tt0 -85.51 99.85 11.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.234 0.54 . . . . 0.0 110.798 -176.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.4 mm -90.45 108.09 19.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.506 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.2 t -90.68 115.25 29.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.862 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.54 103.73 14.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.32 0.581 . . . . 0.0 110.514 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.44 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 34.8 m-85 -91.31 114.53 27.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.055 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.2 mt -80.63 124.82 29.31 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.037 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt . . . . . 0 C--N 1.323 -0.543 0 CA-C-O 121.527 0.679 . . . . 0.0 109.914 177.767 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? . . . . . 0 C--O 1.235 0.333 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.5 pt -89.05 145.39 7.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.827 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.441 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 61.5 m80 -91.24 106.75 18.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.789 177.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -95.35 145.21 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.822 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.4 HG21 HE21 ' A' ' 26' ' ' GLN . 82.3 m -100.51 111.09 23.3 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.063 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.34 121.77 43.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.339 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -100.55 101.56 12.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.438 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.445 ' CD1' ' HD2' ' A' ' 23' ' ' PRO . 2.5 m-85 -105.17 155.96 36.93 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.903 175.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.445 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 16.0 Cg_endo -59.2 -26.02 80.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.236 1.957 . . . . 0.0 111.133 172.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.8 m -68.02 -58.91 3.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.482 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -167.23 173.29 9.13 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.163 0.506 . . . . 0.0 111.114 -174.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.4 HE21 HG21 ' A' ' 19' ' ' THR . 45.4 tt0 -102.71 126.29 49.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.307 174.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -143.95 163.4 33.58 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.014 -0.275 . . . . 0.0 110.843 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -111.96 143.04 43.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.355 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.1 t -129.71 146.19 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.304 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.86 118.14 28.35 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.036 0.446 . . . . 0.0 110.237 174.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.522 HG11 ' CD1' ' A' ' 40' ' ' LEU . 19.6 m -135.09 152.61 32.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.815 177.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -76.04 150.75 37.29 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -75.88 -22.27 56.31 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.314 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 p -98.03 14.27 28.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.237 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' A' ' 39' ' ' SER . 5.4 tp10 -72.04 146.39 47.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.411 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 1.9 p -82.41 156.28 24.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.271 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.67 -35.96 72.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.868 0.366 . . . . 0.0 110.495 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 t -57.76 -41.2 81.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.266 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.426 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 16.6 m -79.44 -18.45 52.13 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.903 -177.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.812 HD23 HD13 ' A' ' 57' ' ' LEU . 19.0 tp -73.09 -52.44 14.29 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.617 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.32 -33.12 75.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.712 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.408 ' O ' HG13 ' A' ' 46' ' ' ILE . 32.4 t70 -54.85 -50.49 68.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.313 175.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HD2' HG12 ' A' ' 31' ' ' VAL . 59.9 mttp -61.81 -47.2 86.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.148 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 40' ' ' LEU . 65.8 mt -60.05 -39.44 80.35 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.182 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.373 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -66.25 -30.38 70.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.897 0.38 . . . . 0.0 111.135 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 42' ' ' ASP . 90.4 mt -71.97 -34.66 51.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.998 0.427 . . . . 0.0 110.699 177.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 68.3 t -81.15 -56.07 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.76 -174.62 4.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.457 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -102.27 -20.18 14.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.682 0.277 . . . . 0.0 111.096 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.592 HG21 HD22 ' A' ' 86' ' ' LEU . 10.5 m -62.27 128.76 91.6 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 121.363 0.601 . . . . 0.0 112.366 -173.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.22 146.58 81.17 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.31 2.673 . . . . 0.0 112.287 172.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.91 -32.15 54.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.34 -15.76 59.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.734 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -98.0 -31.23 12.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.943 0.402 . . . . 0.0 111.387 -172.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.492 ' HB3' HG21 ' A' ' 50' ' ' THR . 23.2 ptt? -96.97 133.14 42.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.077 0.465 . . . . 0.0 111.562 -178.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.489 ' HB2' ' HD3' ' A' ' 87' ' ' LYS . 4.0 tp-100 -114.17 143.1 45.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.859 177.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.812 HD13 HD23 ' A' ' 40' ' ' LEU . 42.6 mt -99.74 130.19 45.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.529 -176.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.533 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 82.6 m-85 -123.68 123.11 39.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.957 0.408 . . . . 0.0 110.83 178.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -116.97 110.76 18.69 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.259 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.9 m 61.3 26.86 16.63 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.1 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.68 -15.62 60.69 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.398 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.8 mt -83.78 123.26 38.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.648 0.261 . . . . 0.0 110.846 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -76.45 115.68 16.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.014 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.7 mt -82.0 79.35 8.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.809 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.38 -32.47 19.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.14 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.409 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 4.5 m-20 -68.36 100.73 1.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.249 0.547 . . . . 0.0 110.511 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -72.52 -33.94 67.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.055 -174.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -80.6 -5.21 56.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.552 -175.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.04 160.45 18.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.121 0.486 . . . . 0.0 111.995 -175.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.512 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 3.5 m-20 -91.83 158.9 16.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.936 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.745 HD21 HD22 ' A' ' 40' ' ' LEU . 81.9 mt -69.26 -33.06 72.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.745 0.307 . . . . 0.0 111.265 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -63.1 -28.1 69.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.8 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.512 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 36.6 mm-40 -55.56 -36.1 66.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.136 0.493 . . . . 0.0 110.918 176.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.525 ' HB2' HG13 ' A' ' 76' ' ' ILE . 47.2 m-85 -93.68 3.9 54.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.775 -176.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.36 17.59 79.75 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.605 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.525 HG13 ' HB2' ' A' ' 74' ' ' TYR . 64.7 mt -66.7 135.74 27.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.025 0.441 . . . . 0.0 111.35 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.4 t -129.83 -174.18 3.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.64 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.441 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 39.2 tt0 -69.12 152.09 45.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.686 0.279 . . . . 0.0 110.94 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.5 t80 71.47 15.5 6.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.673 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.3 p -75.6 141.87 42.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.954 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -101.79 109.43 21.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.147 0.498 . . . . 0.0 110.352 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.9 mm -92.88 113.87 28.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.562 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -88.07 119.72 35.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.625 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.19 108.82 24.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.07 0.462 . . . . 0.0 110.994 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.533 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 45.1 m-85 -96.73 133.22 41.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.596 174.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.592 HD22 HG21 ' A' ' 50' ' ' THR . 22.8 mt -96.09 141.01 29.98 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.656 -176.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.516 ' HB3' ' NZ ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--N 1.321 -0.664 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.96 175.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.578 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.446 -0.67 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.8 pt -98.45 148.39 6.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-O 121.424 0.631 . . . . 0.0 111.795 -169.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.406 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 33.2 m80 -91.91 109.79 21.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.836 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -99.84 133.98 40.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -92.73 109.78 21.21 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -92.58 117.25 35.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.561 -176.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -99.71 105.64 17.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.242 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -99.25 154.24 37.4 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.056 174.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.28 -18.46 52.56 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.619 2.213 . . . . 0.0 111.877 174.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.9 m -85.05 -67.46 0.8 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.215 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.64 174.51 11.37 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.956 0.408 . . . . 0.0 110.759 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -110.81 139.99 45.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.55 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -154.17 164.21 38.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.622 0.249 . . . . 0.0 110.417 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -110.05 140.86 43.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.836 0.351 . . . . 0.0 110.386 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.4 t -125.41 143.49 38.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.406 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 50.4 mt-10 -98.11 117.42 32.43 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 121.134 0.492 . . . . 0.0 110.53 175.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.615 HG11 HD12 ' A' ' 40' ' ' LEU . 26.1 m -128.64 159.31 40.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.502 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.432 ' HA ' ' HG3' ' A' ' 15' ' ' LYS . 8.5 t70 -69.44 146.39 52.03 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -75.27 -14.76 60.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.883 0.373 . . . . 0.0 111.117 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.5 p -103.81 14.57 30.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.359 0.599 . . . . 0.0 110.295 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 10.3 tt0 -75.14 152.03 38.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.211 -176.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.496 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 24.9 p -89.88 159.51 16.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.563 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 57.9 t -63.64 -34.32 67.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.084 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.543 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 9.3 t -65.91 -33.91 76.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.477 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.1 t -79.32 -24.13 43.02 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.64 HD13 HD11 ' A' ' 71' ' ' LEU . 15.7 tp -69.79 -52.61 23.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.944 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HB3' HG23 ' A' ' 52' ' ' ILE . 94.9 mttt -62.03 -30.25 70.84 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.056 176.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.423 ' O ' HG13 ' A' ' 46' ' ' ILE . 23.3 t70 -60.08 -50.5 73.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.937 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.56 ' HD2' HG12 ' A' ' 31' ' ' VAL . 58.9 mttp -64.69 -41.41 96.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.3 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.4 mt -61.0 -33.88 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.481 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -69.62 -30.41 68.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.122 177.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 42' ' ' ASP . 74.8 mt -77.58 -36.15 22.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.978 0.418 . . . . 0.0 110.771 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.1 t -81.51 -51.58 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -95.88 154.19 17.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.419 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.47 52.07 2.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.006 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.8 m -137.6 120.81 11.49 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.1 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -62.21 149.6 89.98 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.897 2.398 . . . . 0.0 111.844 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 41' ' ' LYS . 68.5 mt -63.64 -29.49 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.332 0.586 . . . . 0.0 110.534 -177.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -73.63 -10.5 59.76 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.47 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.432 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 0.2 OUTLIER -103.81 -22.26 13.55 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -178.692 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -115.23 145.57 42.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.971 0.415 . . . . 0.0 111.731 -174.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -123.57 141.29 52.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.762 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.8 mt -98.67 134.23 41.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.787 0.327 . . . . 0.0 110.772 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -122.24 129.37 52.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.673 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -129.43 116.88 19.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.172 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.6 t 61.85 27.89 17.03 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.486 0.66 . . . . 0.0 110.189 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.1 -15.58 60.66 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.11 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 61.8 mt -80.62 126.6 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.623 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -79.1 116.33 19.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.472 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.9 mt -79.27 74.74 5.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.368 0.604 . . . . 0.0 110.673 -176.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.4 -24.01 22.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.081 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.5 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 70.2 m-20 -78.89 94.11 5.15 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 177.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.563 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 33.4 m-20 -71.12 -32.56 69.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.245 0.545 . . . . 0.0 110.947 -177.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -72.04 -19.42 61.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.429 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -72.98 153.62 40.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.084 0.469 . . . . 0.0 111.511 -177.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.574 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 3.9 m-20 -89.7 154.75 19.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.772 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.64 HD11 HD13 ' A' ' 40' ' ' LEU . 55.9 mt -64.03 -39.24 93.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.913 0.387 . . . . 0.0 110.823 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -61.52 -27.49 68.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.491 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.574 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 38.4 mt-10 -65.48 -35.87 82.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.614 0.245 . . . . 0.0 110.91 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.5 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 98.1 m-85 -77.17 -28.1 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.33 0.586 . . . . 0.0 109.93 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.26 9.79 28.86 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.274 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.634 ' HB ' ' HB3' ' A' ' 71' ' ' LEU . 62.6 mt -64.92 124.35 19.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.84 0.353 . . . . 0.0 110.218 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.3 t -144.21 -162.86 1.56 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.55 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.404 ' HG2' ' HD1' ' A' ' 79' ' ' PHE . 33.2 tt0 -55.36 128.46 34.32 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.388 0.675 . . . . 0.0 111.389 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.404 ' HD1' ' HG2' ' A' ' 78' ' ' GLU . 5.9 m-85 68.88 31.27 4.37 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.725 0.641 . . . . 0.0 112.262 176.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.2 p -81.63 141.14 33.95 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 174.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -93.77 120.38 33.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.052 0.453 . . . . 0.0 110.51 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.7 mm -110.49 113.91 45.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.789 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.6 t -97.32 127.25 49.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.306 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 56.8 t -104.98 112.04 36.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.977 0.418 . . . . 0.0 110.915 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -101.82 137.65 39.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.781 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.0 mt -99.49 119.76 38.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.741 0.781 . . . . 0.0 110.717 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? . . . . . 0 C--N 1.317 -0.84 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.077 -177.526 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.8 pt -97.52 145.86 8.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.347 0.594 . . . . 0.0 111.452 -171.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.648 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 73.7 m80 -98.94 102.68 14.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.3 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.1 m -86.74 134.85 26.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.062 0.458 . . . . 0.0 110.538 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.504 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 29.1 m -90.85 110.03 21.24 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.1 t -92.67 112.06 25.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.932 0.396 . . . . 0.0 110.211 -176.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.639 ' HE2' ' HB3' ' A' ' 81' ' ' GLU . 66.8 mttm -97.81 108.8 21.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.272 -177.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -101.5 154.4 37.27 Favored Pre-proline 0 C--N 1.319 -0.756 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 172.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.4 -15.01 45.77 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.505 2.137 . . . . 0.0 112.526 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.5 m -116.88 -11.3 10.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -165.79 173.28 10.81 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.841 0.353 . . . . 0.0 110.927 -176.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.504 ' OE1' ' HG2' ' A' ' 21' ' ' LYS . 29.8 tt0 -148.48 126.7 12.17 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -141.14 175.23 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.313 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -118.38 143.58 46.54 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.1 t -125.6 136.21 61.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.648 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 46.2 mt-10 -93.22 113.67 25.94 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.577 0.703 . . . . 0.0 110.369 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.617 HG11 HD12 ' A' ' 40' ' ' LEU . 28.3 m -131.45 148.53 32.67 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.833 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -68.99 161.1 29.67 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.195 0.521 . . . . 0.0 110.965 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HE ' ' HB2' ' A' ' 33' ' ' ARG . 7.5 ttm180 -73.53 -26.43 60.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.405 0.621 . . . . 0.0 110.242 -177.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.3 p -99.33 13.85 31.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.522 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.12 143.09 54.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.864 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.0 p -78.86 152.18 31.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.747 0.308 . . . . 0.0 110.537 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.588 HG12 ' HE3' ' A' ' 41' ' ' LYS . 22.0 t -60.71 -32.96 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.07 0.462 . . . . 0.0 110.107 177.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.527 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 2.2 t -69.2 -31.8 70.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.271 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.1 t -79.17 -30.39 43.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.691 HD23 HD13 ' A' ' 57' ' ' LEU . 20.5 tp -59.1 -52.45 65.67 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.336 173.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.588 ' HE3' HG12 ' A' ' 37' ' ' VAL . 87.8 mttt -56.62 -45.59 81.41 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.966 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.487 ' O ' HG13 ' A' ' 46' ' ' ILE . 33.5 t70 -62.14 -45.02 95.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.022 -176.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -64.7 -40.35 95.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.412 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 40' ' ' LEU . 77.4 mt -63.63 -37.04 78.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.891 0.377 . . . . 0.0 110.2 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -64.29 -28.68 69.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.993 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.5 mt -75.42 -31.66 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.962 0.41 . . . . 0.0 110.332 177.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.2 t -82.23 -54.48 9.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.114 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.8 153.69 18.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.686 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -83.64 -1.93 55.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.828 0.347 . . . . 0.0 111.54 -175.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.483 HG23 ' HD3' ' A' ' 54' ' ' ARG . 97.6 m -73.27 126.23 90.31 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.139 0.495 . . . . 0.0 111.676 -178.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.574 ' HG2' ' HB2' ' A' ' 54' ' ' ARG . 8.7 Cg_endo -55.33 148.47 50.96 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.072 2.515 . . . . 0.0 112.334 173.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.61 -25.85 37.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.78 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 3.4 mptp? -75.74 -23.23 56.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.829 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.574 ' HB2' ' HG2' ' A' ' 51' ' ' PRO . 36.7 ttt180 -88.53 -29.46 20.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.006 -174.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.424 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 25.8 ptt? -106.78 134.8 49.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.008 -175.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.566 HE21 ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -119.14 133.16 55.94 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.948 178.685 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.691 HD13 HD23 ' A' ' 40' ' ' LEU . 22.3 mt -86.27 131.82 34.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.5 -176.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 59.5 m-85 -128.78 123.59 33.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.032 0.444 . . . . 0.0 110.901 176.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -107.21 126.76 52.83 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 174.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.4 p 55.59 -95.85 0.06 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.826 0.704 . . . . 0.0 110.835 -173.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -133.98 24.01 3.66 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.65 132.43 71.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.275 -0.463 . . . . 0.0 110.311 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -83.23 140.32 32.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.277 0.56 . . . . 0.0 110.818 -179.542 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.625 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 49.7 mt -93.61 73.39 4.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.052 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.52 -30.05 37.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.429 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.76 156.97 31.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.628 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.527 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 24.6 m-20 -114.68 -33.72 5.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.986 176.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -79.07 -14.24 59.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.856 -176.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 37' ' ' VAL . 2.5 mmp_? -77.19 153.56 33.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.983 0.421 . . . . 0.0 110.96 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -102.63 150.87 23.0 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.333 175.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.68 HD11 HD13 ' A' ' 40' ' ' LEU . 75.7 mt -59.21 -38.97 81.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.751 -176.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.42 ' HB3' ' HG2' ' A' ' 33' ' ' ARG . 10.6 p30 -62.6 -28.13 69.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.53 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -67.37 -26.87 66.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.935 0.397 . . . . 0.0 110.81 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -83.58 -6.36 59.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.832 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.57 21.91 52.33 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.512 -176.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.1 mt -79.36 137.44 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.347 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.4 t -138.46 -171.01 2.95 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.329 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.413 ' HG3' ' HD2' ' A' ' 79' ' ' PHE . 7.9 tp10 -54.58 128.96 34.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 122.986 0.514 . . . . 0.0 111.598 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.537 ' HA ' ' O ' ' A' ' 17' ' ' HIS . 33.5 m-85 57.41 59.59 3.25 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.202 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.1 p -94.54 131.31 40.41 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.588 170.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.639 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 51.4 mt-10 -84.63 117.6 23.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.168 0.509 . . . . 0.0 110.544 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.4 mm -104.12 117.27 49.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.658 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.508 HG22 ' HD2' ' A' ' 21' ' ' LYS . 33.3 t -89.34 119.75 36.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 61.8 t -102.34 106.89 20.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.104 0.478 . . . . 0.0 110.645 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.494 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 67.8 m-85 -90.88 130.53 36.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.599 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.8 mt -97.19 143.51 27.92 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.878 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt . . . . . 0 C--N 1.319 -0.741 0 CA-C-O 121.725 0.774 . . . . 0.0 109.917 179.388 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.186 0 CA-C-O 121.254 0.55 . . . . 0.0 111.931 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.513 HG23 ' HG2' ' A' ' 33' ' ' ARG . 9.2 pt -110.5 154.28 12.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.16 170.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.49 ' H ' ' CB ' ' A' ' 78' ' ' GLU . 0.3 OUTLIER -98.02 84.92 3.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.161 0.505 . . . . 0.0 109.791 -176.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.6 m -83.33 138.43 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.84 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.0 m -94.81 110.13 22.03 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.999 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.5 113.94 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.015 0.436 . . . . 0.0 110.046 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.547 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 49.8 mtpt -102.38 99.25 9.3 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.042 -176.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.554 ' HE2' HG21 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -99.58 149.98 36.38 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.098 178.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.526 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 34.5 Cg_exo -59.24 -24.95 76.41 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.321 2.014 . . . . 0.0 111.454 173.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.1 p -80.51 -68.92 0.64 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.332 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -137.4 175.73 9.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.139 0.495 . . . . 0.0 111.061 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -122.11 131.31 53.9 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.604 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -147.75 151.1 35.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.0 110.914 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.51 135.92 44.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.125 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -123.87 144.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.627 0.251 . . . . 0.0 110.712 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -91.46 106.4 18.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.087 0.47 . . . . 0.0 110.32 172.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.55 HG12 ' HE2' ' A' ' 43' ' ' LYS . 22.9 m -123.11 149.01 26.77 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 27.7 t70 -73.71 164.1 27.09 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.276 -0.569 . . . . 0.0 110.494 -178.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.513 ' HG2' HG23 ' A' ' 16' ' ' ILE . 40.1 mtt-85 -74.76 -23.97 58.62 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.781 -176.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.7 p -97.64 13.67 29.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.932 0.396 . . . . 0.0 110.904 177.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.68 143.86 53.31 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.545 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.7 p -88.74 158.97 18.0 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.528 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.613 HG13 HD12 ' A' ' 57' ' ' LEU . 93.2 t -59.53 -37.02 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.475 177.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.538 ' OG ' ' HB3' ' A' ' 67' ' ' ASP . 46.3 m -62.75 -44.27 96.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.479 177.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.4 m -79.2 -23.27 43.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.842 0.353 . . . . 0.0 110.287 -175.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.911 HD23 HD13 ' A' ' 57' ' ' LEU . 16.5 tp -64.31 -48.49 75.42 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 173.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.606 ' HG3' HD11 ' A' ' 57' ' ' LEU . 51.7 mtmt -67.13 -32.91 74.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.578 177.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.465 ' O ' HG13 ' A' ' 46' ' ' ILE . 22.9 t70 -63.49 -45.42 90.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.971 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.55 ' HE2' HG12 ' A' ' 31' ' ' VAL . 2.7 tptt -55.41 -48.94 73.61 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.528 176.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.554 HG21 ' HE2' ' A' ' 22' ' ' PHE . 75.9 mt -62.15 -42.11 93.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.175 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -62.68 -30.8 71.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.767 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 42' ' ' ASP . 85.2 mt -68.67 -33.41 59.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.905 0.384 . . . . 0.0 110.786 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.5 t -85.21 -51.69 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.153 0.502 . . . . 0.0 110.825 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -83.85 -175.15 5.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.676 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -110.46 -18.8 13.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.188 0.518 . . . . 0.0 110.203 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.1 m -67.33 125.64 91.38 Favored Pre-proline 0 N--CA 1.449 -0.496 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.86 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.777 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 38.6 Cg_exo -58.31 147.73 83.17 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.233 2.622 . . . . 0.0 112.018 173.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.454 HD11 ' HA ' ' A' ' 42' ' ' ASP . 70.2 mt -59.64 -37.61 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.21 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.83 -21.28 66.36 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.777 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 3.8 mpt_? -97.22 -15.84 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -115.31 137.72 51.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.851 0.358 . . . . 0.0 111.321 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -121.46 146.62 46.73 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.911 HD13 HD23 ' A' ' 40' ' ' LEU . 21.9 mt -91.33 133.52 35.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.683 -175.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.615 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 29.0 m-85 -125.27 127.53 46.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.97 0.414 . . . . 0.0 110.579 176.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -130.63 114.18 15.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.493 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.5 m 59.81 32.4 21.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.598 175.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.36 -2.59 83.38 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.9 mt -106.11 121.77 58.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.615 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 19.5 pt-20 -81.74 132.95 35.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.447 0.641 . . . . 0.0 110.033 177.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 24.6 mt -86.97 85.15 7.24 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.139 -178.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.28 -35.82 18.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.671 -173.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -78.92 111.4 15.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.22 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.538 ' HB3' ' OG ' ' A' ' 38' ' ' SER . 1.6 m-20 -63.85 -40.3 96.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.364 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -70.75 -6.94 41.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.401 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -79.34 156.03 28.19 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.18 0.514 . . . . 0.0 111.643 -176.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.583 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 12.8 m120 -103.43 158.09 16.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.375 177.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.72 HD21 HD22 ' A' ' 40' ' ' LEU . 58.7 mt -66.82 -32.96 74.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.895 0.379 . . . . 0.0 111.387 -178.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -66.44 -27.65 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.628 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.583 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 8.7 mm-40 -65.06 -34.75 79.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.958 0.409 . . . . 0.0 110.553 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -86.69 -22.25 26.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.714 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.61 40.9 5.22 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.254 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.615 HD12 HD22 ' A' ' 71' ' ' LEU . 54.4 mt -88.09 130.98 36.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.721 0.296 . . . . 0.0 110.716 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.4 t -121.34 -172.94 2.51 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.39 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.49 ' CB ' ' H ' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -81.77 27.96 0.43 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.043 0.449 . . . . 0.0 112.141 -174.799 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -141.25 25.29 2.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.525 0.679 . . . . 0.0 109.332 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.1 p -92.22 140.94 29.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.185 -172.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -101.74 98.44 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.058 172.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.6 mm -84.48 99.85 7.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.464 0.649 . . . . 0.0 109.573 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.547 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 39.0 t -85.64 115.46 27.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.91 -176.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.481 HG11 ' CZ ' ' A' ' 22' ' ' PHE . 91.4 t -90.65 113.41 26.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.819 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.41 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 24.5 m-85 -102.83 129.16 49.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.665 176.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.4 mt -99.62 122.87 43.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.932 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt . . . . . 0 C--N 1.322 -0.627 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.909 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.8 pt -99.74 147.24 7.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.067 -175.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.671 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 72.0 m80 -93.46 99.29 11.8 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.807 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -89.06 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.019 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 m -94.32 109.88 21.68 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.943 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.21 119.61 47.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.918 0.39 . . . . 0.0 110.541 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.683 ' HE2' HG22 ' A' ' 83' ' ' VAL . 38.7 mtmt -107.73 113.02 25.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.391 -178.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.428 ' HE2' ' HG1' ' A' ' 50' ' ' THR . 10.6 m-85 -96.1 160.42 29.97 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 171.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.51 -1.35 3.82 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 122.427 2.085 . . . . 0.0 112.117 177.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.4 m -108.81 -58.45 2.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.81 173.95 12.32 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.806 0.336 . . . . 0.0 111.261 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.489 HE21 ' HG2' ' A' ' 21' ' ' LYS . 34.5 tt0 -118.74 141.11 48.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.44 -177.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -150.64 173.77 13.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.274 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 m -117.11 142.43 47.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.613 0.244 . . . . 0.0 110.547 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.0 t -125.98 141.25 46.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.16 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.671 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 48.9 mt-10 -90.51 111.55 22.87 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.084 0.468 . . . . 0.0 110.28 175.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.492 HG12 ' HG3' ' A' ' 43' ' ' LYS . 35.7 m -130.59 149.35 33.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.86 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -67.2 152.69 45.28 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.328 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -70.94 -32.23 69.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.415 0.626 . . . . 0.0 109.552 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.5 p -91.67 11.16 25.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.289 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.557 ' HG3' ' HB3' ' A' ' 39' ' ' SER . 4.9 tp10 -66.9 139.99 57.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.914 176.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.7 p -83.47 156.71 22.74 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.768 0.318 . . . . 0.0 111.078 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.1 t -56.99 -35.33 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.175 0.512 . . . . 0.0 110.878 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.9 p -71.25 -29.27 64.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.882 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.557 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 8.5 t -80.35 -28.48 38.04 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.71 HD23 HD13 ' A' ' 57' ' ' LEU . 21.8 tp -61.42 -47.46 85.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.5 174.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HB3' HG23 ' A' ' 52' ' ' ILE . 90.5 mttt -58.11 -40.82 82.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.357 175.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' HG13 ' A' ' 46' ' ' ILE . 17.7 t70 -58.14 -46.66 85.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.6 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 39' ' ' SER . 72.6 mmtt -57.07 -51.1 70.61 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.608 177.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.4 ' HB ' ' HE1' ' A' ' 55' ' ' MET . 61.0 mt -61.96 -33.88 60.3 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.122 -177.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -69.87 -29.53 66.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.762 0.315 . . . . 0.0 111.071 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 42' ' ' ASP . 74.2 mt -76.89 -37.18 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.189 0.518 . . . . 0.0 110.464 177.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.3 t -79.6 -53.76 12.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.182 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.14 171.64 9.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.771 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -98.99 4.39 47.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.217 0.532 . . . . 0.0 110.29 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.428 ' HG1' ' HE2' ' A' ' 22' ' ' PHE . 7.9 m -78.51 124.43 85.41 Favored Pre-proline 0 N--CA 1.445 -0.684 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.185 -177.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.78 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 31.9 Cg_exo -60.64 139.2 84.57 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.643 2.229 . . . . 0.0 111.112 171.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.446 HG23 ' HB3' ' A' ' 41' ' ' LYS . 61.4 mt -57.49 -35.51 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.533 -177.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -71.11 -10.19 59.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.143 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.78 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 2.9 mpt_? -96.76 -24.71 15.81 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -176.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.4 ' HE1' ' HB ' ' A' ' 44' ' ' ILE . 23.4 ptt? -110.93 138.11 47.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.33 0.586 . . . . 0.0 112.408 -170.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.415 ' HG2' ' HE3' ' A' ' 87' ' ' LYS . 0.8 OUTLIER -111.18 140.37 45.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.721 177.311 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.71 HD13 HD23 ' A' ' 40' ' ' LEU . 58.4 mt -101.85 129.89 48.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.049 -175.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.405 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 93.1 m-85 -126.82 121.64 32.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.002 0.43 . . . . 0.0 111.043 177.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.434 ' O ' HG12 ' A' ' 62' ' ' ILE . 39.9 t80 -104.32 104.38 14.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.084 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.7 m 62.36 8.95 3.03 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.878 0.37 . . . . 0.0 111.71 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.16 -16.89 11.77 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.79 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 59' ' ' TYR . 12.9 mm -77.9 115.14 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.86 117.16 13.11 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.73 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 41.0 mt -79.26 82.32 5.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.535 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.68 6.69 34.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.402 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -107.71 91.19 3.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.28 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -61.36 -28.39 69.19 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -176.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -86.17 3.0 44.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.913 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -95.94 151.72 19.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.133 0.492 . . . . 0.0 111.254 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.543 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 3.9 m-20 -88.13 152.25 22.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.97 174.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.561 HD11 HD13 ' A' ' 40' ' ' LEU . 67.8 mt -58.04 -37.28 74.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.65 0.738 . . . . 0.0 109.523 176.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -56.08 -29.51 60.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.362 176.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.543 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 9.8 mm-40 -66.27 -36.52 83.2 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.54 -178.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.466 ' HB2' HG13 ' A' ' 76' ' ' ILE . 98.4 m-85 -80.27 -11.59 59.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.39 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.47 24.01 37.89 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.855 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.466 HG13 ' HB2' ' A' ' 74' ' ' TYR . 58.4 mt -69.83 118.21 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.027 0.442 . . . . 0.0 110.96 -177.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.9 t -109.74 -168.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.934 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 40.7 tt0 -75.95 146.34 39.7 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.299 -0.251 . . . . 0.0 110.36 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 64.21 23.31 13.09 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.342 -177.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.7 p -68.44 142.5 55.35 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.28 171.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -94.36 102.99 14.99 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.335 0.588 . . . . 0.0 110.613 -175.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.7 mm -93.85 107.41 19.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.649 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.683 HG22 ' HE2' ' A' ' 21' ' ' LYS . 12.9 t -89.3 120.16 37.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.216 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.43 112.36 37.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.012 0.434 . . . . 0.0 110.697 -178.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -105.36 137.5 43.07 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.549 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.5 mt -97.84 121.74 40.12 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.415 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 72.7 mmtt . . . . . 0 C--N 1.323 -0.581 0 CA-C-O 121.603 0.716 . . . . 0.0 109.113 -179.28 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 15' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.447 -0.601 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.2 pt -99.41 149.47 5.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.538 -175.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.534 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 66.5 m80 -96.69 97.28 9.22 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.859 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.0 m -86.47 144.35 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.733 -177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 24.5 m -99.05 109.39 22.13 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.922 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -96.07 123.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.809 0.337 . . . . 0.0 110.658 -176.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -112.23 115.43 28.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.776 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.42 ' C ' ' H ' ' A' ' 24' ' ' SER . 15.2 m-85 -96.94 163.85 19.2 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 172.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.95 34.0 0.18 Allowed 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 122.993 2.462 . . . . 0.0 113.464 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 22' ' ' PHE . 75.7 m -162.37 -31.12 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.509 0.324 . . . . 0.0 111.524 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -149.2 172.21 15.2 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.136 0.493 . . . . 0.0 111.933 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -136.9 131.68 33.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.152 178.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -147.38 160.58 42.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.481 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -103.94 141.88 35.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.722 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -127.27 142.55 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.534 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 56.4 mt-10 -92.38 112.9 25.01 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.271 0.558 . . . . 0.0 110.683 176.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.568 HG11 HD12 ' A' ' 40' ' ' LEU . 20.9 m -128.98 156.96 41.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 CA-C-N 115.103 -0.953 . . . . 0.0 108.963 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -71.49 157.86 37.27 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 120.683 0.278 . . . . 0.0 110.334 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -74.32 -21.75 59.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.39 0.615 . . . . 0.0 110.282 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.4 p -100.29 14.33 31.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.13 176.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.58 138.55 57.68 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.133 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.2 p -82.13 150.5 27.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.593 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 87.5 t -57.72 -34.61 48.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.111 0.481 . . . . 0.0 110.649 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.534 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 25.8 t -63.14 -42.39 99.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.907 178.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 62.9 m -79.55 -21.55 45.0 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.688 HD13 HD11 ' A' ' 71' ' ' LEU . 20.8 tp -62.43 -51.83 65.96 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.547 ' HB3' HG23 ' A' ' 52' ' ' ILE . 96.4 mttt -63.49 -34.85 78.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.325 177.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.419 ' O ' HG13 ' A' ' 46' ' ' ILE . 25.5 t70 -60.45 -49.98 75.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.866 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.505 ' HA ' HD12 ' A' ' 46' ' ' ILE . 58.4 mttp -63.01 -37.94 89.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.181 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.9 mt -64.34 -38.05 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.459 176.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -62.87 -30.84 71.82 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 111.138 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 43' ' ' LYS . 79.2 mt -68.68 -31.88 52.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.232 0.539 . . . . 0.0 110.35 178.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.3 t -78.79 -57.61 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.384 0.611 . . . . 0.0 110.317 173.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.4 ' C ' ' H ' ' A' ' 50' ' ' THR . 2.8 tp10 -113.18 129.78 56.41 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.876 -172.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.47 22.24 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.4 ' H ' ' C ' ' A' ' 48' ' ' GLU . 23.9 m -79.87 126.42 80.07 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-O 120.851 0.357 . . . . 0.0 110.254 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.557 ' HG2' ' HD2' ' A' ' 54' ' ' ARG . 52.6 Cg_exo -51.76 135.43 49.57 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 123.171 2.58 . . . . 0.0 112.611 175.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.547 HG23 ' HB3' ' A' ' 41' ' ' LYS . 95.7 mt -63.83 -36.57 77.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.864 -174.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -71.81 -16.67 62.18 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.557 ' HD2' ' HG2' ' A' ' 51' ' ' PRO . 80.3 mtt180 -95.92 -35.08 11.58 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -174.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -91.23 119.49 31.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.332 0.587 . . . . 0.0 110.711 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -104.3 137.59 41.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.867 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.418 HD13 HD23 ' A' ' 40' ' ' LEU . 59.3 mt -97.55 130.58 44.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.679 -176.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.413 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 76.0 m-85 -120.4 129.8 54.08 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.704 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 80' ' ' SER . 47.3 t80 -122.32 118.2 27.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.306 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.8 m 66.65 -80.91 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 O-C-N 123.78 0.675 . . . . 0.0 110.608 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.32 15.3 1.29 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.9 mt -115.65 128.83 72.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.949 -0.626 . . . . 0.0 110.455 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -80.4 126.56 31.34 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.01 67.77 8.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.31 0.576 . . . . 0.0 109.837 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.54 -35.7 45.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.145 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.552 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 10.2 m-20 -79.66 103.69 9.74 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.593 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 22.2 m-20 -75.97 -23.28 55.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.087 -174.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -84.06 -5.97 59.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.656 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -92.71 161.67 14.46 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.151 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -94.52 152.84 18.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.284 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.688 HD11 HD13 ' A' ' 40' ' ' LEU . 55.4 mt -59.32 -39.86 84.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -175.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -62.54 -28.42 69.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.853 -0.158 . . . . 0.0 111.422 -176.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.35 -34.22 77.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.945 0.402 . . . . 0.0 110.939 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.552 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 91.7 m-85 -82.98 -4.97 58.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.378 179.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.55 12.7 62.39 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.246 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.45 ' HB ' ' HB3' ' A' ' 71' ' ' LEU . 49.7 mt -74.41 134.36 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.051 0.453 . . . . 0.0 110.705 -177.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -139.57 -164.95 1.78 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.829 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.59 140.3 53.77 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.6 t80 72.87 12.27 5.21 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.303 0.641 . . . . 0.0 110.626 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.518 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 58.5 m -73.67 129.83 38.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.939 173.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.418 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 35.4 tt0 -86.28 122.86 30.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.537 -176.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.4 115.79 50.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.773 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.3 t -94.24 126.29 46.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.015 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.8 t -99.64 105.23 17.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.184 0.516 . . . . 0.0 110.959 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.413 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 35.3 m-85 -98.43 122.26 41.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.238 176.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.91 121.38 29.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.056 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt . . . . . 0 C--N 1.323 -0.56 0 CA-C-O 121.264 0.554 . . . . 0.0 110.534 -179.46 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt . . . . . 0 N--CA 1.445 -0.676 0 CA-C-O 121.137 0.494 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.567 ' HB ' ' HA ' ' A' ' 78' ' ' GLU . 17.3 pt -121.05 151.68 24.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.892 -178.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.641 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 41.4 m80 -98.8 111.89 24.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.08 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -101.97 137.31 30.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 53.5 m -90.61 110.61 21.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.261 179.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.1 t -89.97 111.38 23.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.056 0.455 . . . . 0.0 110.407 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.764 ' HE2' ' HB3' ' A' ' 81' ' ' GLU . 67.7 mttm -92.56 95.62 9.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.199 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.49 ' HE2' HG21 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -103.29 142.88 25.49 Favored Pre-proline 0 C--N 1.317 -0.826 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.375 179.25 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -59.48 -19.85 53.85 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.398 2.065 . . . . 0.0 110.87 171.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.0 t -75.14 -69.83 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.636 174.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -152.83 174.63 13.82 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.422 175.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -112.3 127.19 55.92 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.012 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -147.51 159.1 44.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.499 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -105.76 140.31 38.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.052 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.11 141.53 43.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.248 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.641 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 51.5 mt-10 -89.58 117.15 28.26 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.214 0.531 . . . . 0.0 110.318 174.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.59 HG11 HD12 ' A' ' 40' ' ' LEU . 11.5 m -132.91 156.19 42.01 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.24 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.211 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -76.24 160.26 29.84 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -73.42 -20.17 60.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.063 0.458 . . . . 0.0 110.259 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.4 p -100.81 14.77 30.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.355 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 17.1 tp10 -61.74 133.64 55.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.768 177.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -72.37 150.0 43.85 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.535 -179.304 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.596 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 92.7 t -57.51 -43.57 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.125 0.488 . . . . 0.0 110.716 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -69.42 -26.68 64.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.507 178.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 m -79.31 -29.6 42.46 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.713 HD22 HD21 ' A' ' 71' ' ' LEU . 18.1 tp -64.27 -49.98 69.74 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.185 173.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.542 ' HB3' HG23 ' A' ' 52' ' ' ILE . 98.5 mttt -62.14 -37.17 84.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.683 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.484 ' O ' HG13 ' A' ' 46' ' ' ILE . 26.4 t70 -60.37 -48.33 82.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.377 178.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.5 ' CD ' HG12 ' A' ' 31' ' ' VAL . 49.4 mttp -59.68 -44.82 93.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.408 177.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.49 HG21 ' HE2' ' A' ' 22' ' ' PHE . 74.0 mt -63.26 -37.22 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.525 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -64.87 -29.58 70.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 111.059 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 42' ' ' ASP . 89.3 mt -74.93 -36.51 39.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.065 0.459 . . . . 0.0 110.918 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.8 t -80.07 -53.12 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.42 -177.81 6.29 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.968 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -116.3 20.91 13.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.406 0.622 . . . . 0.0 109.93 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.8 m -99.07 123.41 49.11 Favored Pre-proline 0 N--CA 1.444 -0.739 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.778 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.754 ' HG2' HH11 ' A' ' 54' ' ' ARG . 54.1 Cg_exo -52.67 143.79 45.31 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.577 2.851 . . . . 0.0 112.98 175.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 41' ' ' LYS . 64.6 mt -61.08 -39.67 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.482 -177.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 3.0 mmmp? -73.15 -9.86 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.978 -176.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.754 HH11 ' HG2' ' A' ' 51' ' ' PRO . 43.4 mtt180 -99.08 -34.99 10.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.793 0.33 . . . . 0.0 111.66 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.404 ' SD ' ' HZ ' ' A' ' 22' ' ' PHE . 24.3 ptt? -94.1 125.68 38.88 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.21 0.529 . . . . 0.0 111.777 -177.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -107.78 134.76 50.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.616 176.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.433 HD13 HD23 ' A' ' 40' ' ' LEU . 54.3 mt -96.76 129.18 44.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.04 -174.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 35.2 m-85 -117.2 122.33 43.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.151 0.501 . . . . 0.0 110.979 176.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.407 ' HE1' ' HB2' ' A' ' 80' ' ' SER . 39.3 t80 -104.7 105.52 15.64 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.84 176.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.2 m 61.59 22.22 12.74 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.398 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.6 -19.17 39.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.229 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 57.4 mt -85.8 123.38 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.496 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -83.03 132.49 35.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.443 0.64 . . . . 0.0 111.089 -176.617 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.6 mt -87.33 76.93 9.04 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.33 -14.17 27.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.029 -171.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -101.69 87.49 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.26 0.552 . . . . 0.0 110.27 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.596 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 0.7 OUTLIER -55.56 -26.14 41.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.882 -176.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -83.46 4.16 28.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -101.97 171.63 7.4 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.499 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 85.8 m-20 -107.66 164.34 12.32 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.713 HD21 HD22 ' A' ' 40' ' ' LEU . 63.9 mt -62.22 -34.11 75.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.671 -177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -59.4 -27.73 66.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.319 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -67.54 -27.1 66.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.703 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -97.04 -7.56 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.72 34.21 25.51 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.096 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.611 HD12 HD22 ' A' ' 71' ' ' LEU . 43.5 mt -86.25 132.29 32.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.744 0.307 . . . . 0.0 110.485 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.7 t -130.19 -169.06 2.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.193 -177.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.567 ' HA ' ' HB ' ' A' ' 16' ' ' ILE . 42.1 tt0 -68.98 140.94 55.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.707 0.289 . . . . 0.0 111.071 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.2 t80 73.11 20.3 3.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.847 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.407 ' HB2' ' HE1' ' A' ' 59' ' ' TYR . 63.1 p -76.24 134.62 39.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.352 176.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.764 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 51.4 mt-10 -91.4 122.41 33.98 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.581 179.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.9 mm -106.29 119.59 55.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.806 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.638 HG22 ' HD2' ' A' ' 21' ' ' LYS . 46.1 t -93.55 122.45 45.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.6 t -100.55 111.24 29.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.064 0.459 . . . . 0.0 111.367 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.51 128.43 43.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.4 173.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.1 mt -90.37 127.46 36.19 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.061 0.457 . . . . 0.0 110.211 -178.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.473 ' HA ' ' HD3' ' A' ' 87' ' ' LYS . 69.9 mmtt . . . . . 0 C--N 1.319 -0.747 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.253 -179.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.45 -0.444 0 CA-C-O 121.163 0.506 . . . . 0.0 110.405 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.429 HG21 ' O ' ' A' ' 77' ' ' THR . 23.8 pt -98.49 156.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.037 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -89.52 97.55 11.26 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.165 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.9 m -87.41 145.22 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.073 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.595 ' HB ' ' HG2' ' A' ' 81' ' ' GLU . 60.0 m -104.87 113.28 26.78 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.521 -175.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.4 t -92.81 116.8 34.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.078 0.466 . . . . 0.0 110.938 -177.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -96.29 103.85 15.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.688 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -97.54 157.71 34.3 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -70.7 45.16 0.54 Allowed 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 123.056 2.504 . . . . 0.0 111.864 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.5 t -165.79 -67.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.804 -177.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -132.53 175.18 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.122 0.487 . . . . 0.0 110.791 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -125.89 128.78 48.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.954 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -138.51 156.41 47.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.845 0.355 . . . . 0.0 110.79 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.21 141.0 37.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.59 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.481 HG11 ' HB3' ' A' ' 43' ' ' LYS . 26.0 t -126.96 150.0 32.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.611 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -92.44 112.01 23.8 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.526 175.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.627 HG11 HD12 ' A' ' 40' ' ' LEU . 31.0 m -136.47 147.66 27.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.501 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 16.5 t70 -80.56 161.67 24.66 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.283 -178.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 33' ' ' ARG . 61.9 mtt180 -66.58 -25.47 66.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.018 0.437 . . . . 0.0 110.475 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.637 ' HA ' ' OD1' ' A' ' 70' ' ' ASN . 76.2 p -102.55 16.42 26.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.073 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 7.3 tp10 -74.38 152.61 39.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.143 175.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 p -90.81 160.84 15.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.646 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.43 HG12 ' HE3' ' A' ' 41' ' ' LYS . 59.3 t -66.26 -36.39 77.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.072 0.463 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -58.55 -39.81 81.28 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.148 177.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.621 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 22.7 m -79.81 -27.22 40.32 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.737 -176.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.627 HD12 HG11 ' A' ' 31' ' ' VAL . 23.9 tp -62.36 -49.25 76.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.931 176.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HE3' HG12 ' A' ' 37' ' ' VAL . 92.2 mttt -59.41 -39.59 83.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.598 177.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' HG13 ' A' ' 46' ' ' ILE . 20.3 t70 -57.8 -48.6 79.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.156 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' A' ' 39' ' ' SER . 75.0 mmtt -56.1 -48.99 75.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.313 0.577 . . . . 0.0 110.519 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.3 mt -64.45 -38.5 82.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.182 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -64.75 -30.1 71.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 111.516 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 42' ' ' ASP . 84.1 mt -70.79 -30.99 44.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.143 0.497 . . . . 0.0 110.346 178.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 t -78.02 -56.46 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.354 0.597 . . . . 0.0 110.756 173.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -114.45 133.43 55.75 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.934 -171.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.413 HD22 ' N ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -75.4 9.22 2.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -171.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.454 HG21 HD22 ' A' ' 86' ' ' LEU . 14.5 m -65.42 123.66 84.99 Favored Pre-proline 0 N--CA 1.446 -0.636 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 175.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.456 ' HG2' ' HD2' ' A' ' 54' ' ' ARG . 52.2 Cg_exo -53.37 136.62 63.55 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.858 2.372 . . . . 0.0 112.128 175.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 41' ' ' LYS . 64.4 mt -60.17 -35.53 62.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.736 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.89 -29.64 68.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.776 0.322 . . . . 0.0 111.509 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' HD2' ' HG2' ' A' ' 51' ' ' PRO . 43.6 mtt180 -80.98 -40.35 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.451 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.5 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 26.3 ptt? -90.91 117.43 29.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.341 0.591 . . . . 0.0 111.062 -176.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -101.45 132.92 46.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.958 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.6 mt -91.38 128.23 37.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.944 -175.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.506 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 74.9 m-85 -120.94 127.71 52.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.371 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CE1' ' HB3' ' A' ' 80' ' ' SER . 62.0 t80 -116.88 112.75 21.5 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.345 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.8 m 60.09 21.83 11.05 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.886 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.06 -12.96 55.92 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.237 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.4 mt -91.35 125.77 44.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.437 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 12.6 pt-20 -81.52 134.38 35.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.126 0.488 . . . . 0.0 109.753 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.2 mt -82.98 70.29 9.95 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.351 0.596 . . . . 0.0 109.844 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.51 -35.53 68.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.357 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 61.5 m-20 -80.92 100.21 8.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.329 0.585 . . . . 0.0 110.371 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -70.02 -31.03 68.48 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.531 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -81.83 -9.21 59.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.738 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -80.93 168.85 18.26 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.401 0.62 . . . . 0.0 112.1 -175.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.637 ' OD1' ' HA ' ' A' ' 34' ' ' THR . 2.0 t-20 -94.25 158.42 15.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.208 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 80.6 mt -72.03 -44.76 62.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.743 -177.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.48 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 9.2 p30 -60.35 -27.77 67.64 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.772 0.32 . . . . 0.0 110.971 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -58.34 -32.91 68.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.54 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.436 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 95.3 m-85 -85.06 -9.15 58.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 111.156 -178.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.6 -0.86 30.66 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.218 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 72' ' ' ASN . 72.0 mt -67.42 130.79 33.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 177.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.429 ' O ' HG21 ' A' ' 16' ' ' ILE . 3.1 t -147.41 -36.65 0.22 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.817 -174.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -178.14 135.91 0.16 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.385 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 58.43 20.2 7.2 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.718 0.637 . . . . 0.0 111.4 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.511 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 2.8 m -65.13 131.09 45.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.946 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.595 ' HG2' ' HB ' ' A' ' 19' ' ' THR . 25.3 mt-10 -95.25 125.34 39.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.34 0.59 . . . . 0.0 110.79 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.0 mm -107.07 114.57 46.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.687 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.3 t -88.96 116.9 31.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 56.0 t -96.25 105.83 17.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.229 0.538 . . . . 0.0 110.973 -176.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.506 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 28.2 m-85 -94.74 121.66 36.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.931 176.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.454 HD22 HG21 ' A' ' 50' ' ' THR . 28.5 mt -83.63 119.14 24.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.795 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt . . . . . 0 C--N 1.32 -0.7 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.964 -175.891 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm . . . . . 0 N--CA 1.445 -0.703 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.5 pt -101.73 142.32 16.49 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-O 121.31 0.576 . . . . 0.0 110.11 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.658 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 69.8 m80 -97.44 98.74 10.2 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.226 -177.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 m -92.06 142.78 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.614 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.1 m -100.1 111.67 23.96 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.146 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.8 t -89.06 115.41 28.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.097 0.475 . . . . 0.0 110.752 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -90.02 102.55 15.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.841 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.593 ' CD1' ' HD2' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -114.15 147.79 38.63 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.685 178.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.593 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 40.3 Cg_endo -68.55 -13.88 38.35 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.3 2.0 . . . . 0.0 112.039 175.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 p -96.39 -30.85 13.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.429 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.18 174.82 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.423 -176.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -129.1 129.55 45.35 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.426 ' HZ ' HG23 ' A' ' 44' ' ' ILE . 39.6 p90 -149.39 156.34 41.89 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.314 0.578 . . . . 0.0 111.383 -177.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 m -104.65 136.96 43.22 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.263 177.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.61 135.79 58.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.658 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 47.1 mt-10 -90.31 108.64 19.89 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.409 0.623 . . . . 0.0 109.968 174.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.472 HG11 HD12 ' A' ' 40' ' ' LEU . 16.6 m -127.21 155.9 38.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.768 177.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 15.4 t0 -66.8 147.04 53.77 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.733 175.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -75.95 -25.1 55.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.098 0.475 . . . . 0.0 110.7 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.4 14.29 18.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.441 0.639 . . . . 0.0 110.635 175.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 22.6 tt0 -72.49 147.06 46.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.921 177.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 16.4 p -88.89 160.88 16.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.6 0.238 . . . . 0.0 111.122 -178.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.427 HG12 ' HE3' ' A' ' 41' ' ' LYS . 61.7 t -58.96 -34.36 52.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.059 0.457 . . . . 0.0 110.694 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.549 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 25.3 p -54.72 -47.77 73.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.443 176.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 23.0 m -75.78 -28.94 58.59 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.418 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 71' ' ' LEU . 13.1 tp -62.01 -46.26 89.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.905 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HE3' HG12 ' A' ' 37' ' ' VAL . 95.9 mttt -59.45 -41.76 90.43 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.393 176.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.418 ' O ' HG13 ' A' ' 46' ' ' ILE . 30.6 t70 -59.43 -45.89 90.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.785 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 39' ' ' SER . 35.0 mmtp -56.37 -51.5 68.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.866 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.426 HG23 ' HZ ' ' A' ' 27' ' ' PHE . 66.0 mt -61.15 -41.5 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.184 -176.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -64.71 -29.15 70.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.568 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 42' ' ' ASP . 91.3 mt -73.57 -35.29 44.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.004 0.43 . . . . 0.0 110.446 178.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.7 t -80.39 -53.64 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.979 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.09 162.57 14.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.014 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -84.23 -22.8 30.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.976 0.417 . . . . 0.0 110.933 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.3 m -61.85 131.5 93.08 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.661 -177.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.764 ' HG2' ' HD3' ' A' ' 54' ' ' ARG . 56.6 Cg_endo -73.71 153.14 48.49 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.749 2.299 . . . . 0.0 112.405 178.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.8 mt -66.58 -24.07 32.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.524 0.678 . . . . 0.0 110.308 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -68.28 -19.1 64.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.055 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.764 ' HD3' ' HG2' ' A' ' 51' ' ' PRO . 8.9 mpt_? -106.76 -26.97 11.06 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.912 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.509 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 27.0 ptt? -96.93 134.89 39.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.219 0.533 . . . . 0.0 112.164 -173.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -115.73 141.93 47.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.067 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.4 mt -99.5 128.38 45.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.902 0.382 . . . . 0.0 111.363 -174.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.412 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 94.6 m-85 -127.76 126.98 42.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.224 176.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -112.56 105.67 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.724 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.0 m 61.65 27.05 16.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.419 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.18 -25.31 28.72 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.835 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.5 mt -80.73 120.01 31.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.908 0.385 . . . . 0.0 110.349 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -75.21 140.32 43.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.071 176.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.1 mt -88.05 88.19 7.57 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.18 -28.39 38.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.781 -172.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.429 ' HB2' ' HD3' ' A' ' 69' ' ' ARG . 26.5 m-20 -100.56 108.13 19.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.323 0.582 . . . . 0.0 110.617 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.549 ' OD2' ' HB3' ' A' ' 38' ' ' SER . 22.0 t70 -66.47 -30.93 71.38 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.751 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -84.31 -8.36 59.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.385 -173.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.429 ' HD3' ' HB2' ' A' ' 66' ' ' ASP . 74.8 mtp180 -83.07 156.33 23.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.257 0.551 . . . . 0.0 110.816 -178.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.562 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 8.2 m120 -86.52 154.16 21.3 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.937 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 40' ' ' LEU . 41.5 mt -59.05 -35.19 72.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.729 0.776 . . . . 0.0 109.101 173.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -57.27 -34.19 68.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.726 175.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.538 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 23.4 mm-40 -65.28 -47.38 76.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.1 0.476 . . . . 0.0 110.081 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -71.81 -23.02 61.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.528 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.33 33.16 7.35 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.82 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.521 HD12 HD22 ' A' ' 71' ' ' LEU . 52.4 mt -77.94 119.69 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.087 0.47 . . . . 0.0 110.612 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.5 t -104.35 -174.37 2.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.227 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.503 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 39.1 tt0 -76.84 148.83 36.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.453 0.168 . . . . 0.0 110.695 -179.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.503 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 37.4 m-85 69.63 20.65 6.93 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.7 0.625 . . . . 0.0 111.066 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 p -74.19 132.95 42.67 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.95 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -92.36 106.24 18.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.165 0.507 . . . . 0.0 110.081 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.8 mm -89.94 115.94 30.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.518 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.4 t -92.79 117.29 35.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.692 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.509 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 45.0 t -101.27 110.02 27.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.515 -178.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.696 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 44.5 m-85 -94.91 121.14 36.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.22 178.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.47 HD21 ' CE1' ' A' ' 22' ' ' PHE . 26.6 mt -84.58 115.0 22.38 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.419 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.696 ' HE3' ' HB3' ' A' ' 85' ' ' PHE . 29.8 mmtp . . . . . 0 C--N 1.32 -0.715 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 3.4 mppt? . . . . . 0 CA--C 1.508 -0.66 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.642 HG21 ' O ' ' A' ' 77' ' ' THR . 27.9 pt -92.1 145.78 7.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.107 -170.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.632 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 43.5 m80 -88.93 95.39 10.29 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.737 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -85.03 141.24 14.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.281 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -95.3 109.7 21.8 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.82 118.5 34.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.955 0.407 . . . . 0.0 110.48 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.609 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 35.1 mmtp -96.07 96.95 9.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.659 -178.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -96.48 152.94 38.96 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.863 174.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -60.26 -23.06 73.01 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.462 2.108 . . . . 0.0 112.006 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.4 m -84.52 -61.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.05 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.04 173.75 13.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 110.669 -176.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.538 ' OE1' ' HE2' ' A' ' 21' ' ' LYS . 14.8 tt0 -111.62 133.18 54.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.055 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -146.09 166.24 26.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.656 0.265 . . . . 0.0 110.364 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.461 HG21 ' HB3' ' A' ' 17' ' ' HIS . 3.2 m -111.18 145.2 39.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.548 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 36.2 t -129.57 141.5 46.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.832 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.632 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 56.6 mt-10 -90.47 109.77 20.89 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.068 0.461 . . . . 0.0 110.016 176.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.422 HG12 ' HD3' ' A' ' 43' ' ' LYS . 25.2 m -128.69 147.09 33.18 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.83 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 37.2 t0 -71.9 147.76 46.74 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -72.38 -21.41 61.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.29 0.567 . . . . 0.0 110.533 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.33 14.2 23.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.822 175.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HG3' ' HB3' ' A' ' 39' ' ' SER . 5.6 tp10 -69.43 151.3 46.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.386 175.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.4 p -90.15 161.02 15.96 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.1 t -64.31 -33.93 65.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.191 0.519 . . . . 0.0 110.087 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.447 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 14.1 p -62.0 -38.93 90.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.812 176.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.544 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 17.9 t -79.69 -25.64 41.16 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -176.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.833 HD23 HD13 ' A' ' 57' ' ' LEU . 19.3 tp -66.77 -52.41 44.47 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.57 176.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.53 ' HB3' HG23 ' A' ' 52' ' ' ILE . 76.6 mttt -61.77 -36.49 81.2 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.444 176.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.457 ' O ' HG13 ' A' ' 46' ' ' ILE . 25.9 t70 -58.38 -47.67 83.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.743 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HD3' HG12 ' A' ' 31' ' ' VAL . 51.8 mttp -64.09 -46.21 85.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.507 179.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.2 mt -59.57 -36.05 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.637 176.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -66.36 -30.7 71.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.588 0.233 . . . . 0.0 111.218 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 42' ' ' ASP . 83.2 mt -73.34 -47.59 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.046 0.45 . . . . 0.0 110.284 178.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.4 -52.06 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.291 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -91.31 -169.5 2.34 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.77 -173.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -122.1 19.7 10.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.584 0.707 . . . . 0.0 110.346 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.516 HG21 ' HB3' ' A' ' 55' ' ' MET . 13.1 m -102.33 131.21 22.78 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.111 -177.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.411 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 35.3 Cg_exo -57.12 139.94 91.35 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 123.01 2.474 . . . . 0.0 111.582 171.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.53 HG23 ' HB3' ' A' ' 41' ' ' LYS . 33.5 mt -57.23 -36.56 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.347 -174.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -85.68 -10.2 56.06 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -175.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.411 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 3.6 mpt_? -92.86 -26.1 17.79 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.217 177.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.516 ' HB3' HG21 ' A' ' 50' ' ' THR . 23.5 ptt? -98.71 124.89 43.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.131 0.491 . . . . 0.0 110.79 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG3' ' HE3' ' A' ' 87' ' ' LYS . 15.2 mm100 -107.7 145.85 32.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.606 -178.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.833 HD13 HD23 ' A' ' 40' ' ' LEU . 55.0 mt -107.98 129.07 55.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -175.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.466 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 87.3 m-85 -128.84 137.62 51.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.053 0.454 . . . . 0.0 110.674 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -126.13 107.72 10.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.223 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.3 m 57.79 29.78 17.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.53 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.01 -14.38 62.71 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.451 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.5 mt -83.71 127.6 39.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -82.28 120.62 25.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.543 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.0 mt -83.81 81.62 8.68 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.0 -29.89 13.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.122 -174.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -73.01 107.37 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.815 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 38' ' ' SER . 17.8 t70 -62.33 -40.69 97.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.231 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -77.12 -12.66 59.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.24 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -80.16 156.24 27.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -173.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.527 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 12.1 m120 -97.25 151.77 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.461 177.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.638 HD11 HD13 ' A' ' 40' ' ' LEU . 78.6 mt -57.83 -47.21 83.31 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -174.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -59.63 -27.47 66.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.59 -176.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.527 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 30.2 mt-10 -65.22 -21.63 66.77 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.691 0.281 . . . . 0.0 111.196 -178.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -86.06 -13.38 47.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.976 0.417 . . . . 0.0 110.353 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.78 8.4 30.18 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.95 -176.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.6 mt -74.2 109.69 7.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.057 0.456 . . . . 0.0 110.508 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.642 ' O ' HG21 ' A' ' 16' ' ' ILE . 3.3 t -99.58 -59.8 1.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.711 -177.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.495 ' H ' HG23 ' A' ' 77' ' ' THR . 38.7 tt0 -176.81 154.02 1.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -176.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.456 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 52.3 m-85 57.98 22.24 8.62 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.217 0.532 . . . . 0.0 111.288 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.3 p -72.22 130.03 39.84 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.261 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -91.89 94.64 9.4 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.912 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.1 mm -80.96 115.81 24.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.608 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.609 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 12.3 t -87.11 120.71 36.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.948 -177.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.1 t -100.74 105.81 18.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.341 0.591 . . . . 0.0 110.556 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.466 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 60.9 m-85 -92.06 123.57 35.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.856 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.473 HD22 HG21 ' A' ' 50' ' ' THR . 44.3 mt -97.69 123.17 41.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.814 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.477 ' HE3' ' HG3' ' A' ' 56' ' ' GLN . 3.7 mptp? . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.847 -171.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.447 -0.575 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.602 ' HA ' ' HG3' ' A' ' 78' ' ' GLU . 29.0 pt -83.51 143.87 11.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-O 121.692 0.758 . . . . 0.0 111.595 -169.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.464 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 52.4 m80 -88.13 98.24 11.44 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.789 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 m -92.81 131.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.07 0.462 . . . . 0.0 110.427 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.8 m -85.55 110.33 19.15 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.857 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -91.28 107.95 19.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.108 0.48 . . . . 0.0 109.899 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.529 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 50.4 mtpt -99.05 104.42 16.44 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.354 -177.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -95.31 156.48 37.63 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.607 173.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.92 -18.32 61.93 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.372 2.048 . . . . 0.0 111.435 173.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.1 m -104.17 -21.92 13.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.277 -175.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -168.44 172.67 8.13 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.623 0.249 . . . . 0.0 110.986 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -137.83 131.19 30.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.222 176.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -150.91 163.81 37.81 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -108.36 142.91 37.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.681 0.277 . . . . 0.0 110.481 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.4 t -123.67 137.55 56.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.464 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 53.6 mt-10 -91.46 102.98 15.66 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.56 0.695 . . . . 0.0 110.094 176.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.44 HG11 HD12 ' A' ' 40' ' ' LEU . 35.3 m -119.49 145.7 25.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.841 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.66 144.94 46.51 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HB3' HG23 ' A' ' 16' ' ' ILE . 17.8 ptp180 -69.76 -21.69 63.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.835 0.35 . . . . 0.0 110.75 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.588 ' HA ' ' OD1' ' A' ' 72' ' ' ASN . 45.5 p -96.37 14.9 22.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.624 177.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -70.6 149.86 46.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.185 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 p -88.21 152.1 22.21 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.566 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 87.6 t -56.04 -37.7 49.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 121.014 0.435 . . . . 0.0 110.605 177.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.564 ' HB3' ' HB3' ' A' ' 67' ' ' ASP . 12.3 p -59.21 -44.88 92.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.945 177.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 26.9 m -79.18 -24.68 43.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.172 -176.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.697 HD23 HD13 ' A' ' 57' ' ' LEU . 17.0 tp -62.05 -43.12 99.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.251 173.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.456 ' HD3' HG23 ' A' ' 52' ' ' ILE . 99.3 mttt -65.89 -34.2 77.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.595 176.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.459 ' O ' HG13 ' A' ' 46' ' ' ILE . 12.3 m-20 -61.78 -42.9 99.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.468 176.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 39' ' ' SER . 74.3 mmtt -56.04 -50.55 70.63 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.306 0.574 . . . . 0.0 110.143 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.71 -40.35 88.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.135 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -64.23 -30.77 71.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.312 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 42' ' ' ASP . 99.5 mt -74.75 -38.15 44.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.974 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.7 t -82.93 -54.7 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.225 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -98.72 153.46 18.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.114 0.483 . . . . 0.0 111.445 -176.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -87.13 78.41 8.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.508 0.671 . . . . 0.0 109.475 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.9 m -147.85 123.38 5.24 Favored Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.721 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.01 136.22 64.06 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.736 2.291 . . . . 0.0 111.848 173.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.456 HG23 ' HD3' ' A' ' 41' ' ' LYS . 70.1 mt -63.59 -26.77 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.108 -177.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -72.6 -10.75 60.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.681 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -100.52 -42.38 6.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.003 0.43 . . . . 0.0 111.244 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -89.56 131.59 35.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.32 0.581 . . . . 0.0 112.15 -172.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CB ' ' HE3' ' A' ' 87' ' ' LYS . 4.6 tp-100 -111.76 149.33 31.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.55 175.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.697 HD13 HD23 ' A' ' 40' ' ' LEU . 78.0 mt -102.24 134.69 45.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.737 0.303 . . . . 0.0 111.088 -176.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 41.3 m-85 -124.02 121.49 35.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.274 176.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -93.05 103.14 15.47 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 m 66.77 -74.22 0.07 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 123.89 0.744 . . . . 0.0 110.865 -176.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -146.64 10.63 1.46 Allowed Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 37.4 mt -105.25 122.89 59.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.199 -176.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -79.69 121.14 24.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.997 0.427 . . . . 0.0 110.339 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.8 mt -83.59 80.25 9.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.048 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.9 -17.68 34.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.989 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.446 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 2.9 m-20 -91.87 100.17 12.9 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.566 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 9.9 m-20 -71.5 -33.03 68.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.177 -175.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -80.49 15.97 1.49 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.202 -0.453 . . . . 0.0 112.013 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.468 ' O ' HG23 ' A' ' 37' ' ' VAL . 14.3 mmt180 -102.55 136.09 43.01 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.957 0.408 . . . . 0.0 111.502 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.537 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 5.3 m-20 -71.67 146.73 48.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.29 175.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.692 HD21 HD22 ' A' ' 40' ' ' LEU . 68.8 mt -61.58 -42.45 98.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.01 0.434 . . . . 0.0 110.428 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . 0.588 ' OD1' ' HA ' ' A' ' 34' ' ' THR . 4.2 p-10 -61.08 -29.01 69.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.423 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 54.5 mm-40 -66.44 -37.42 85.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.55 0.214 . . . . 0.0 111.155 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . 0.447 ' HB2' HG13 ' A' ' 76' ' ' ILE . 82.8 m-85 -70.41 -23.39 62.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.006 0.431 . . . . 0.0 110.453 177.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.01 12.83 28.74 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -175.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.447 HG13 ' HB2' ' A' ' 74' ' ' TYR . 65.9 mt -67.67 116.71 7.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.925 0.393 . . . . 0.0 110.691 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.3 t -101.47 -172.82 2.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.002 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.602 ' HG3' ' HA ' ' A' ' 16' ' ' ILE . 22.1 tt0 -76.47 154.74 34.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.495 -177.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 64.29 31.29 13.04 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.583 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 p -85.55 172.23 11.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.393 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -119.42 112.75 19.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.081 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 1.7 mp -106.86 108.51 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.529 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 21.4 t -87.84 122.07 39.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.58 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.4 t -95.52 103.98 15.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-O 121.032 0.444 . . . . 0.0 110.821 -176.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.441 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 37.7 m-85 -95.29 121.91 37.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.084 176.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 22.1 mt -87.51 126.67 35.05 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.449 ' HE3' ' CB ' ' A' ' 56' ' ' GLN . 38.2 mttt . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.844 -173.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 3.3 mppt? . . . . . 0 C--O 1.236 0.371 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.555 HG21 ' O ' ' A' ' 77' ' ' THR . 15.7 pt -91.84 150.91 3.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.252 0.548 . . . . 0.0 111.325 -173.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.598 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 46.4 m80 -91.73 106.29 18.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.772 178.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.07 140.49 19.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.407 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.6 m -93.64 109.94 21.56 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.9 t -94.44 113.86 29.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.02 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.512 ' HB3' ' NZ ' ' A' ' 21' ' ' LYS . 7.9 mtpm? -101.5 113.62 26.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.654 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -99.18 155.1 36.92 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.359 170.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -59.59 -11.27 13.65 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.676 2.251 . . . . 0.0 112.95 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -123.14 -13.1 7.81 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -159.52 169.81 23.04 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 122.013 -0.429 . . . . 0.0 111.278 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.5 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 24.4 tt0 -144.27 127.02 16.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.953 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -147.32 160.0 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.708 0.29 . . . . 0.0 110.612 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 m -107.74 141.94 38.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.426 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.7 t -128.22 147.32 32.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.151 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.598 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 49.0 mt-10 -95.43 109.74 21.88 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.235 0.54 . . . . 0.0 110.377 175.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.416 HG11 HD12 ' A' ' 40' ' ' LEU . 18.8 m -126.75 153.0 35.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.245 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -66.25 148.61 51.59 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.83 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 33' ' ' ARG . 13.6 ptm180 -75.43 -27.32 58.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.407 0.622 . . . . 0.0 110.331 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.97 14.19 20.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.557 176.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.462 ' HG3' ' HB3' ' A' ' 39' ' ' SER . 6.1 tp10 -63.6 143.65 57.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.328 178.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 13.2 p -79.36 152.98 30.11 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.327 175.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.557 HG12 ' HE3' ' A' ' 41' ' ' LYS . 58.8 t -57.94 -37.04 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.075 0.464 . . . . 0.0 110.839 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.538 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 1.6 t -71.6 -26.77 62.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -178.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.462 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 25.8 t -79.07 -29.63 43.54 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 57' ' ' LEU . 17.2 tp -63.32 -49.55 73.53 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.058 173.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.557 ' HE3' HG12 ' A' ' 37' ' ' VAL . 94.2 mttt -56.26 -44.82 80.1 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.631 176.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' HG13 ' A' ' 46' ' ' ILE . 32.3 t70 -59.89 -46.72 88.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.845 -178.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -62.03 -43.86 97.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 40' ' ' LEU . 70.5 mt -62.48 -35.93 72.36 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.714 176.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.97 -29.04 68.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.185 0.517 . . . . 0.0 111.312 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 42' ' ' ASP . 89.7 mt -72.04 -41.54 67.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.496 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -79.24 -55.71 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.02 0.438 . . . . 0.0 110.733 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -94.39 147.77 22.89 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.003 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -78.4 -5.34 52.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.631 -175.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.428 HG21 ' HB3' ' A' ' 55' ' ' MET . 7.7 m -64.81 126.18 90.46 Favored Pre-proline 0 N--CA 1.445 -0.676 0 CA-C-O 121.34 0.59 . . . . 0.0 111.526 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.71 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 38.5 Cg_exo -58.97 143.96 99.45 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.814 2.343 . . . . 0.0 111.33 173.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.546 HG23 ' HB3' ' A' ' 41' ' ' LYS . 49.7 mt -59.92 -39.0 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -173.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -78.45 -10.28 59.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.71 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 4.3 mpt_? -93.29 -16.07 25.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.729 0.299 . . . . 0.0 111.361 -176.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.428 ' HB3' HG21 ' A' ' 50' ' ' THR . 22.8 ptt? -114.36 130.03 56.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.101 0.477 . . . . 0.0 110.977 -178.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -111.61 132.47 54.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.687 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.835 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . 19.8 mt -91.7 130.78 37.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.075 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.467 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 76.6 m-85 -126.94 133.96 50.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.874 0.368 . . . . 0.0 110.846 176.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -134.3 113.19 11.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.293 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.6 t 62.84 19.56 11.59 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.776 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.54 -9.58 58.97 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.145 -178.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.4 mt -84.94 128.57 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -84.73 111.67 19.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.602 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.835 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 16.0 mt -87.42 77.85 8.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.833 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.6 -34.82 8.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.406 -177.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -67.94 110.33 3.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.389 0.614 . . . . 0.0 111.498 -175.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.538 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 20.3 m-20 -65.92 -30.46 71.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.495 -173.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -81.95 -0.51 44.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -174.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.485 ' HE ' ' HA ' ' A' ' 69' ' ' ARG . 2.0 mmp_? -89.55 163.77 15.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.615 0.245 . . . . 0.0 110.825 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.578 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 14.8 m120 -111.55 155.43 23.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.627 HD11 HD13 ' A' ' 40' ' ' LEU . 73.0 mt -61.58 -50.86 70.92 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -175.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -59.74 -26.86 66.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.609 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.578 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 54.1 mm-40 -58.31 -34.79 70.98 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.929 0.395 . . . . 0.0 110.703 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -84.45 2.9 38.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.66 10.56 57.78 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.61 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.7 mt -72.91 109.33 4.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.208 0.528 . . . . 0.0 110.31 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.555 ' O ' HG21 ' A' ' 16' ' ' ILE . 4.1 t -107.37 -50.07 3.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.158 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 39.3 tt0 178.82 149.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.776 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.444 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 47.6 m-85 59.22 23.8 12.18 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.51 0.506 . . . . 0.0 111.816 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.4 p -70.58 131.5 44.06 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.245 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -85.92 109.65 18.88 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.8 mm -96.0 109.12 22.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.831 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.5 t -90.71 106.03 17.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.695 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.7 t -88.63 105.12 15.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.471 -177.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.467 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 27.0 m-85 -91.24 113.0 25.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.19 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.2 mt -81.88 122.14 27.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.186 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp . . . . . 0 C--N 1.32 -0.675 0 CA-C-O 121.375 0.607 . . . . 0.0 109.763 178.566 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.421 ' HE2' ' OD2' ' A' ' 32' ' ' ASP . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.9 pt -109.47 159.45 8.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.936 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.445 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 69.2 m80 -100.94 112.08 24.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.788 177.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.3 m -97.54 132.39 42.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.165 0.507 . . . . 0.0 110.581 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.517 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 5.7 m -85.62 109.63 18.69 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.671 178.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.17 113.76 26.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 120.938 0.399 . . . . 0.0 110.491 -176.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.554 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 71.5 mmtt -91.58 107.11 18.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.39 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -110.03 150.86 42.02 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.133 175.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.16 -19.85 58.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.786 2.324 . . . . 0.0 112.565 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.0 m -93.14 -60.44 1.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.64 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -145.25 174.32 11.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.145 0.497 . . . . 0.0 111.321 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -115.68 142.42 46.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.007 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -154.48 174.11 15.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -122.82 140.65 52.7 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -178.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.0 t -122.23 137.14 56.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.214 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 55.3 mt-10 -89.29 109.97 20.8 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.171 0.51 . . . . 0.0 110.299 176.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.536 HG11 HD12 ' A' ' 40' ' ' LEU . 35.0 m -131.22 145.61 35.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.514 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.421 ' OD2' ' HE2' ' A' ' 15' ' ' LYS . 9.3 t0 -64.3 142.75 58.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 176.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -73.44 -16.82 61.3 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.616 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.7 p -97.58 9.93 41.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.019 0.438 . . . . 0.0 110.368 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -73.66 148.14 43.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.207 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.6 p -83.44 150.89 25.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.338 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.484 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 74.2 t -58.49 -34.73 51.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.614 -178.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.522 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -64.23 -35.07 79.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.894 0.378 . . . . 0.0 110.68 -178.766 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.459 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 34.4 t -80.24 -28.74 38.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 57' ' ' LEU . 18.3 tp -59.41 -52.28 66.27 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.784 176.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.67 ' HG3' HD11 ' A' ' 57' ' ' LEU . 48.6 mtmt -65.89 -32.84 74.58 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.887 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.518 ' O ' HG13 ' A' ' 46' ' ' ILE . 23.1 t70 -57.24 -45.89 83.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.481 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.546 ' HA ' HD12 ' A' ' 46' ' ' ILE . 65.2 mttm -68.58 -39.7 80.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.915 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 40' ' ' LEU . 61.9 mt -60.22 -37.45 73.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -65.24 -30.48 71.36 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.712 0.291 . . . . 0.0 111.122 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 43' ' ' LYS . 66.3 mt -72.23 -49.51 42.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.968 0.413 . . . . 0.0 110.709 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.9 t -71.2 -52.29 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.467 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -104.17 124.77 49.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.224 -177.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -78.08 70.57 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.496 0.665 . . . . 0.0 110.392 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.7 m -132.97 128.04 20.46 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.833 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.84 135.55 57.77 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.896 2.398 . . . . 0.0 112.476 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.39 -18.86 24.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.221 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -67.94 -26.35 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.339 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -94.97 -46.49 6.81 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -174.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . 0.4 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 23.9 ptt? -80.52 116.55 20.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.535 0.683 . . . . 0.0 111.726 -173.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -111.72 133.14 54.15 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.445 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.869 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . 18.5 mt -90.6 140.24 29.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.22 -171.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.429 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 51.6 m-85 -131.67 139.43 49.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.382 174.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.492 ' CD2' HG12 ' A' ' 76' ' ' ILE . 40.6 t80 -130.96 112.92 13.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.071 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.4 t 61.89 -94.41 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.293 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.66 7.21 6.98 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 173.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.1 mt -98.95 129.25 49.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.09 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -86.48 134.24 33.69 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.75 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.869 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 56.5 mt -91.19 63.02 4.92 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.53 -23.9 29.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.323 -175.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -92.74 107.47 19.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.494 0.664 . . . . 0.0 111.262 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.522 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 1.1 m-20 -66.49 -33.39 75.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.654 -1.157 . . . . 0.0 112.639 -175.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -78.46 -12.93 60.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -171.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.448 ' HE ' ' HG3' ' A' ' 73' ' ' GLU . 4.9 mtp85 -86.78 152.14 22.76 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.004 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.513 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 72.2 m-20 -81.25 154.25 26.7 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.546 177.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.7 HD21 HD22 ' A' ' 40' ' ' LEU . 66.7 mt -59.94 -31.96 70.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.789 0.804 . . . . 0.0 109.378 174.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -55.71 -35.07 65.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.992 174.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 15.2 mm-40 -66.56 -23.32 66.19 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.195 -175.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -98.96 -12.84 20.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.538 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.26 38.82 9.62 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.249 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.492 HG12 ' CD2' ' A' ' 59' ' ' TYR . 43.8 mt -80.1 118.73 28.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.931 0.396 . . . . 0.0 110.233 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.6 t -101.4 -175.85 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.515 -173.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.577 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 10.9 tp10 -67.13 139.26 57.49 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.104 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 58.7 m-85 55.82 51.37 12.4 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.366 0.603 . . . . 0.0 110.898 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.457 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 4.4 p -97.79 145.28 26.54 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.358 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.517 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 4.3 mp0 -89.84 123.07 33.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.159 0.504 . . . . 0.0 110.94 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.48 112.57 40.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.118 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.554 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 37.1 t -87.48 110.7 20.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.674 -177.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 58.3 t -95.75 108.98 21.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.037 0.446 . . . . 0.0 110.449 -178.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.429 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 45.3 m-85 -91.56 118.66 30.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.674 176.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.1 mt -85.3 110.92 19.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.194 0.521 . . . . 0.0 109.907 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.1 mttt . . . . . 0 C--N 1.316 -0.85 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.012 -177.339 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? . . . . . 0 N--CA 1.446 -0.626 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.9 pt -96.59 144.4 10.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-O 121.317 0.58 . . . . 0.0 111.271 -173.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' HIS . . . . . 0.421 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 8.4 m80 -82.47 100.19 9.91 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.298 175.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 m -93.07 141.76 14.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.495 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -90.64 109.28 20.45 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.2 t -95.51 109.54 22.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.065 0.46 . . . . 0.0 109.786 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.432 ' HG2' ' HG3' ' A' ' 26' ' ' GLN . 44.0 mtmt -96.71 101.05 12.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.326 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -92.64 152.05 41.6 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.119 171.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.39 -23.24 74.17 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.202 1.934 . . . . 0.0 111.547 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 m -87.56 -36.72 17.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.577 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -161.05 166.57 27.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.697 0.284 . . . . 0.0 110.826 -172.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.432 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 27.6 tt0 -122.79 126.42 47.4 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -146.77 160.08 42.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.035 0.445 . . . . 0.0 110.956 -177.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.45 139.23 39.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.229 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.6 t -121.81 139.1 49.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -89.72 102.56 15.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.195 0.521 . . . . 0.0 110.455 175.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.53 HG12 ' HD2' ' A' ' 43' ' ' LYS . 35.4 m -122.57 145.82 28.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.592 177.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASP . . . . . 0.461 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 10.4 t0 -70.97 139.95 50.74 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -75.87 -12.24 60.12 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.026 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 p -98.75 12.36 35.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.182 0.515 . . . . 0.0 110.664 172.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.461 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 10.4 tp10 -83.65 158.69 21.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.556 176.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 p -92.82 157.43 16.4 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.58 -176.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.549 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 95.8 t -59.83 -33.8 53.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.454 -178.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.562 ' HB3' ' HB3' ' A' ' 67' ' ' ASP . 1.0 OUTLIER -62.58 -37.45 86.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.536 179.745 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.44 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 17.4 m -79.28 -26.14 42.36 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.093 0.473 . . . . 0.0 109.824 -179.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.558 HD13 HD11 ' A' ' 71' ' ' LEU . 16.0 tp -60.27 -49.03 79.23 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HE3' HG12 ' A' ' 37' ' ' VAL . 92.2 mttt -61.98 -41.08 97.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.525 176.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.46 ' O ' HG13 ' A' ' 46' ' ' ILE . 21.7 t70 -57.4 -48.09 80.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.663 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HD2' HG12 ' A' ' 31' ' ' VAL . 55.0 mttm -66.59 -43.47 84.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.213 -178.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.95 -39.65 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.486 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.67 -30.34 71.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.111 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.7 mt -75.22 -47.87 33.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.944 0.402 . . . . 0.0 110.894 178.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.75 -54.46 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.06 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -100.98 152.76 20.18 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.778 -177.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -93.41 81.04 4.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.372 0.606 . . . . 0.0 110.957 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' THR . . . . . 0.595 HG21 HD22 ' A' ' 86' ' ' LEU . 97.9 m -150.0 127.47 5.59 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.237 174.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -57.5 139.77 91.2 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.769 2.313 . . . . 0.0 111.577 173.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.71 -23.96 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 0.0 110.796 -178.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -76.56 -10.3 59.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.937 178.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -104.27 -45.64 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.602 0.239 . . . . 0.0 111.539 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -79.24 133.26 36.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.176 0.512 . . . . 0.0 111.37 -176.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -112.83 125.07 53.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.878 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.456 HD13 HD23 ' A' ' 40' ' ' LEU . 53.6 mt -87.74 128.87 35.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 -175.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' TYR . . . . . 0.583 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 51.8 m-85 -122.29 121.78 37.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 175.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -93.1 117.97 30.67 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 168.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.1 p 55.54 -95.87 0.06 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.263 0.625 . . . . 0.0 111.055 -172.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -125.76 10.15 7.56 Favored Glycine 0 N--CA 1.453 -0.194 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.6 mt -105.68 130.25 57.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.921 -0.639 . . . . 0.0 110.052 -175.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.498 ' H ' ' CD ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -85.37 141.47 29.99 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.036 0.446 . . . . 0.0 109.97 179.404 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.4 mt -89.95 88.3 7.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.161 0.505 . . . . 0.0 109.725 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.91 -35.54 17.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.112 -173.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -89.17 105.57 17.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.134 0.492 . . . . 0.0 111.54 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.562 ' HB3' ' HB3' ' A' ' 38' ' ' SER . 5.6 m-20 -63.23 -41.61 99.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.094 -178.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -68.15 -11.54 59.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.05 -176.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -77.89 143.96 37.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.805 0.336 . . . . 0.0 111.541 -177.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASN . . . . . 0.545 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 14.4 m120 -80.41 149.53 30.12 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.558 HD11 HD13 ' A' ' 40' ' ' LEU . 66.3 mt -59.57 -31.01 69.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.691 0.758 . . . . 0.0 109.554 175.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -58.41 -36.94 74.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.946 175.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.545 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 10.4 mm-40 -66.02 -30.87 71.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.861 0.363 . . . . 0.0 110.649 -175.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -83.5 -13.28 54.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.876 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.86 37.93 12.43 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.757 -176.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.8 mt -85.44 120.54 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.05 0.452 . . . . 0.0 110.246 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.8 t -113.35 -174.85 2.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.691 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.449 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 26.0 tt0 -76.51 145.91 38.8 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PHE . . . . . 0.449 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 65.1 m-85 68.32 29.66 5.82 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.726 -176.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -85.84 164.32 17.59 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.166 174.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -106.62 119.07 38.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.401 0.619 . . . . 0.0 111.391 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.1 mm -108.87 106.55 20.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.034 173.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.583 ' HB ' ' HB2' ' A' ' 58' ' ' TYR . 12.2 t -89.83 122.14 40.84 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.818 -176.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.1 t -105.99 101.09 11.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.135 0.493 . . . . 0.0 110.755 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -95.46 119.21 33.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.115 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.595 HD22 HG21 ' A' ' 50' ' ' THR . 24.3 mt -85.53 116.01 23.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.166 -176.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.434 ' HA ' ' HZ2' ' A' ' 87' ' ' LYS . 2.0 mmpm? . . . . . 0 C--N 1.319 -0.717 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.4 mtp . . . . . 0 N--CA 1.479 1.004 0 N-CA-C 109.724 -0.472 . . . . 0.0 109.724 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 3' ' ' HIS . . . 82.3 -166.68 46.26 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.809 -0.916 . . . . 0.0 110.809 -175.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.41 ' HB3' ' O ' ' A' ' 2' ' ' GLY . 40.4 t-80 71.63 -4.25 1.94 Allowed 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.242 0.544 . . . . 0.0 111.148 177.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -84.43 80.79 9.1 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.246 0.546 . . . . 0.0 110.484 -176.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.9 m80 -86.67 155.57 20.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.412 176.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 48.2 p-80 -76.44 143.68 40.41 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 109.645 -0.502 . . . . 0.0 109.645 176.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -154.09 132.34 11.89 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.258 -178.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -119.08 85.04 2.29 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.807 0.813 . . . . 0.0 109.634 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 m -70.57 -32.03 69.27 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.952 -1.022 . . . . 0.0 110.726 -176.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 7.6 t-160 -155.06 114.34 3.65 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.674 -177.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -90.82 -32.41 16.09 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.68 0.752 . . . . 0.0 110.434 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.55 70.52 10.44 Favored 'General case' 0 C--N 1.311 -1.073 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.096 178.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.6 p -157.2 152.1 7.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.736 -178.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -98.47 128.75 44.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 120.879 0.371 . . . . 0.0 110.019 -179.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.2 mptp? -76.91 139.98 40.37 Favored 'General case' 0 C--N 1.316 -0.876 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.9 pt -94.41 157.42 3.03 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-O 121.277 0.56 . . . . 0.0 110.729 -175.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.656 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 77.7 m80 -103.5 111.59 24.12 Favored 'General case' 0 C--N 1.317 -0.824 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.383 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -100.18 141.34 17.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.945 -179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.6 m -91.88 110.02 21.37 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.298 -0.41 . . . . 0.0 109.907 177.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.5 t -94.5 111.63 25.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.946 0.403 . . . . 0.0 109.957 -179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 49.8 mtpt -108.61 114.5 28.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.671 -176.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.464 ' C ' ' H ' ' A' ' 24' ' ' SER . 27.4 m-85 -95.21 166.64 14.42 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 173.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 13.5 Cg_exo -71.36 19.96 0.25 Allowed 'Trans proline' 0 CA--C 1.531 0.349 0 C-N-CA 122.758 2.306 . . . . 0.0 112.042 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.464 ' H ' ' C ' ' A' ' 22' ' ' PHE . 13.9 p -150.63 -55.29 0.16 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.011 -176.359 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -119.34 165.21 14.59 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.18 -175.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -140.26 127.07 20.55 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.953 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.8 p90 -146.83 162.41 38.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.754 0.312 . . . . 0.0 110.376 179.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.8 m -111.43 141.15 45.36 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -179.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.8 t -126.93 139.62 51.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.083 -178.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.656 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 50.3 mt-10 -88.92 112.92 23.88 Favored 'General case' 0 CA--C 1.51 -0.595 0 CA-C-O 121.422 0.63 . . . . 0.0 110.008 176.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.443 HG12 ' CD ' ' A' ' 43' ' ' LYS . 15.2 m -130.74 154.42 40.62 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.231 0 CA-C-N 115.176 -0.92 . . . . 0.0 110.207 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -73.17 155.13 39.94 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.47 177.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 14.5 ptp180 -76.43 -19.83 57.68 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.007 0.432 . . . . 0.0 111.066 -178.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 39.9 p -100.92 14.34 32.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.248 0.547 . . . . 0.0 110.504 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' HG3' ' HB2' ' A' ' 39' ' ' SER . 6.2 tp10 -63.51 140.03 58.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.296 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -74.4 154.42 38.81 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.268 178.349 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 86.7 t -61.7 -37.25 77.57 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 CA-C-O 121.29 0.567 . . . . 0.0 109.716 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.577 ' HB3' ' CG ' ' A' ' 67' ' ' ASP . 2.8 p -62.18 -38.96 91.06 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.802 174.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.415 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 22.2 m -78.54 -22.06 47.82 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.23 0.538 . . . . 0.0 109.633 -174.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.771 HD23 HD13 ' A' ' 57' ' ' LEU . 15.9 tp -71.06 -50.0 38.55 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-N 115.52 -0.764 . . . . 0.0 108.988 173.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.467 ' HB3' HG23 ' A' ' 52' ' ' ILE . 86.5 mttt -64.67 -33.6 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.785 178.195 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.448 ' O ' HG13 ' A' ' 46' ' ' ILE . 2.0 m-20 -54.74 -53.36 56.11 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.978 0.418 . . . . 0.0 110.591 174.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' CD ' HG12 ' A' ' 31' ' ' VAL . 57.9 mttp -62.18 -41.3 98.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.286 -178.801 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.4 HG13 ' O ' ' A' ' 40' ' ' LEU . 68.1 mt -65.36 -38.15 81.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.66 0.267 . . . . 0.0 110.721 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -64.96 -30.26 71.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.989 0.423 . . . . 0.0 111.009 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 42' ' ' ASP . 86.4 mt -70.27 -32.09 49.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.005 0.431 . . . . 0.0 110.37 177.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 95.6 t -84.03 -54.95 7.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.514 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.558 ' CD ' ' H ' ' A' ' 49' ' ' ASN . 1.0 OUTLIER -97.85 165.73 11.8 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.196 0.522 . . . . 0.0 110.585 -174.534 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.558 ' H ' ' CD ' ' A' ' 48' ' ' GLU . 32.5 m-80 -76.83 -27.88 55.32 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.419 -178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.66 ' OG1' ' HE2' ' A' ' 93' ' ' LYS . 21.3 m -57.04 126.46 73.29 Favored Pre-proline 0 C--O 1.235 0.342 0 CA-C-O 121.605 0.717 . . . . 0.0 112.483 -175.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.712 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 39.7 Cg_exo -60.75 151.72 74.69 Favored 'Trans proline' 0 CA--C 1.532 0.38 0 C-N-CA 123.229 2.62 . . . . 0.0 112.164 171.393 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.467 HG23 ' HB3' ' A' ' 41' ' ' LYS . 53.3 mt -60.36 -47.01 94.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -173.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.6 mtmt -68.92 -21.18 64.23 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -174.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.712 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 3.6 mpt_? -89.76 -29.35 18.75 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.734 -0.387 . . . . 0.0 111.909 -174.611 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.564 ' HB3' HG21 ' A' ' 50' ' ' THR . 21.9 ptt? -90.47 129.09 36.68 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.986 0.422 . . . . 0.0 110.543 178.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.501 ' HA ' ' OE1' ' A' ' 56' ' ' GLN . 12.4 mm-40 -110.4 137.46 48.08 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.549 179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.771 HD13 HD23 ' A' ' 40' ' ' LEU . 31.9 mt -99.0 128.96 45.25 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.038 -176.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 81.0 m-85 -118.79 121.85 41.02 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-O 120.761 0.315 . . . . 0.0 110.589 177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 49.5 t80 -114.94 102.06 9.61 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.832 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 44.4 m 51.48 33.13 9.79 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 115.624 -0.716 . . . . 0.0 112.666 173.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 113.44 -18.01 20.8 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.504 -0.855 . . . . 0.0 113.106 176.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 5.1 mp -98.13 125.56 51.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 117.016 0.408 . . . . 0.0 110.641 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 46.0 tt0 -79.66 118.7 21.73 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.835 174.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.639 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 22.5 mt -85.5 79.33 9.45 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.45 -8.86 18.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.558 -175.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.526 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . 65.4 m-20 -89.6 95.59 10.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.235 0.541 . . . . 0.0 110.839 -178.505 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.577 ' CG ' ' HB3' ' A' ' 38' ' ' SER . 17.9 t70 -58.92 -26.78 64.67 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.118 -0.947 . . . . 0.0 111.592 -176.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.1 p90 -86.58 -13.77 44.82 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.683 -173.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.526 ' HG3' ' HB3' ' A' ' 66' ' ' ASP . 63.4 mtp180 -89.47 166.87 13.42 Favored 'General case' 0 N--CA 1.464 0.227 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.95 -177.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.508 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 90.8 m-20 -103.11 170.41 7.98 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.383 177.1 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.689 HD11 HD13 ' A' ' 40' ' ' LEU . 63.6 mt -68.32 -32.74 73.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.003 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -63.11 -28.42 70.06 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.848 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -61.37 -34.64 75.65 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.155 177.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 -92.24 -12.33 32.93 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.815 -178.503 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 78.52 55.72 3.85 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.909 -0.663 . . . . 0.0 112.028 -179.169 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.484 HD12 HD22 ' A' ' 71' ' ' LEU . 59.2 mt -100.56 122.33 52.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 120.845 0.355 . . . . 0.0 110.903 -178.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 t -110.1 -171.65 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.623 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.479 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 35.5 tt0 -74.47 152.72 39.38 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.633 0.254 . . . . 0.0 110.948 -178.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 68.11 21.82 8.55 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.483 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -73.06 146.06 46.1 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.381 176.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 59.4 tt0 -100.51 100.9 11.71 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 121.12 0.486 . . . . 0.0 110.105 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.5 mm -94.43 106.7 18.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.771 -0.65 . . . . 0.0 109.646 179.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.2 t -89.66 115.65 29.65 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.534 -178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 60.5 t -97.18 107.59 20.2 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.986 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -96.13 118.76 33.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.239 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.565 HD22 HG21 ' A' ' 50' ' ' THR . 21.8 mt -85.93 119.6 26.42 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.728 -176.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -89.65 68.44 7.63 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.421 0.629 . . . . 0.0 110.089 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.0 m -146.69 97.27 2.89 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.263 -0.881 . . . . 0.0 109.059 176.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 24.8 pt -117.21 3.25 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.294 -0.412 . . . . 0.0 112.066 -174.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -90.05 -36.19 15.04 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 20.0 ttm-85 -131.23 110.34 11.05 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.441 173.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.76 154.94 41.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.539 -175.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.66 ' HE2' ' OG1' ' A' ' 50' ' ' THR . 0.0 OUTLIER -145.53 162.48 37.31 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.492 176.487 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 29.2 t70 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.181 -0.914 . . . . 0.0 108.876 174.18 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 N--CA 1.48 1.043 0 CA-C-O 120.961 0.41 . . . . 0.0 110.564 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.33 98.54 0.21 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.576 -0.609 . . . . 0.0 111.576 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -135.97 109.62 8.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.226 0.536 . . . . 0.0 111.062 178.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 41.7 m-70 -115.38 6.79 14.92 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.659 -0.701 . . . . 0.0 109.587 173.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -129.3 125.34 36.56 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.149 -178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -150.81 144.11 24.86 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.304 179.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -94.47 -41.82 9.17 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.289 0.566 . . . . 0.0 110.229 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -141.85 -174.51 4.09 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.925 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 p -136.46 91.84 2.7 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.385 177.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.4 t-80 -72.31 -43.41 64.21 Favored 'General case' 0 CA--C 1.519 -0.228 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 175.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.83 98.45 10.76 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 108.6 -0.889 . . . . 0.0 108.6 168.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -75.49 78.6 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.299 0.571 . . . . 0.0 111.214 -174.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.2 p -97.01 117.88 42.41 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-O 121.649 0.738 . . . . 0.0 110.043 176.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.4 mmt180 -95.29 125.88 40.23 Favored 'General case' 0 N--CA 1.438 -1.033 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.261 -175.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.6 mmtt -71.17 139.8 50.31 Favored 'General case' 0 N--CA 1.441 -0.912 0 N-CA-C 108.475 -0.935 . . . . 0.0 108.475 172.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.0 pt -88.16 142.9 12.28 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 CA-C-O 121.495 0.664 . . . . 0.0 110.797 -172.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.5 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 66.5 m80 -94.21 101.17 13.15 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.095 -0.957 . . . . 0.0 109.917 -177.187 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 29' ' ' VAL . 35.3 m -90.28 147.99 4.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.059 -177.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.2 m -96.57 109.5 22.09 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 177.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.7 t -97.28 112.7 29.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.087 0.47 . . . . 0.0 109.904 -179.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.595 ' HD2' ' HG3' ' A' ' 81' ' ' GLU . 50.3 mtpt -107.32 106.06 16.31 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.608 -174.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -92.85 160.45 33.99 Favored Pre-proline 0 C--N 1.318 -0.795 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 172.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 39.2 Cg_exo -62.0 -18.91 64.1 Favored 'Trans proline' 0 CA--C 1.532 0.411 0 C-N-CA 122.463 2.108 . . . . 0.0 112.506 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 27.2 m -103.32 -28.44 11.85 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -177.404 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.1 pttt -163.18 165.08 24.88 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.046 0.45 . . . . 0.0 111.295 -175.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.488 ' OE1' ' HE3' ' A' ' 21' ' ' LYS . 22.3 tt0 -129.45 136.59 50.1 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.028 178.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -148.6 166.92 26.86 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.673 0.273 . . . . 0.0 110.855 179.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.1 m -103.83 140.6 37.43 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.309 -179.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.4 ' O ' HG22 ' A' ' 18' ' ' VAL . 57.8 t -126.28 140.86 47.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.093 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.5 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 43.9 mt-10 -92.12 120.05 32.36 Favored 'General case' 0 CA--C 1.509 -0.621 0 CA-C-O 121.443 0.639 . . . . 0.0 110.672 175.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.755 HG11 HD12 ' A' ' 40' ' ' LEU . 33.9 m -133.21 158.44 43.07 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-N 114.834 -1.076 . . . . 0.0 109.517 177.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -75.74 152.82 37.34 Favored 'General case' 0 C--N 1.315 -0.922 0 C-N-CA 120.366 -0.534 . . . . 0.0 109.888 177.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.6 ptm85 -72.18 -23.84 61.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.801 0.334 . . . . 0.0 111.072 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.9 p -103.47 13.97 32.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.189 0.519 . . . . 0.0 110.189 178.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.501 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 33.0 tt0 -67.79 149.18 50.24 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.173 178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.488 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 32.3 p -84.9 157.52 20.85 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.754 0.312 . . . . 0.0 110.689 178.537 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.476 HG12 ' HE3' ' A' ' 41' ' ' LYS . 61.4 t -60.36 -26.11 36.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.666 0.746 . . . . 0.0 109.788 176.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 3.7 t -63.86 -48.34 77.14 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.856 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 59.6 m -76.46 -21.56 55.71 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.534 -177.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.755 HD12 HG11 ' A' ' 31' ' ' VAL . 12.1 tp -65.47 -53.98 34.88 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.501 175.269 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.542 ' HB3' HG23 ' A' ' 52' ' ' ILE . 89.5 mttt -62.26 -34.99 77.6 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.483 -0.781 . . . . 0.0 110.492 178.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.507 ' O ' HG13 ' A' ' 46' ' ' ILE . 21.8 t70 -56.46 -53.6 55.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.154 -177.114 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.452 ' CE ' HG12 ' A' ' 31' ' ' VAL . 37.3 mtmm -69.26 -33.14 72.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.588 -0.278 . . . . 0.0 111.74 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 40' ' ' LEU . 66.6 mt -62.07 -37.89 79.49 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 N-CA-C 110.232 -0.285 . . . . 0.0 110.232 175.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -70.02 -29.77 66.91 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.825 0.345 . . . . 0.0 110.895 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.507 HG13 ' O ' ' A' ' 42' ' ' ASP . 91.0 mt -73.69 -39.46 53.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.907 179.231 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.5 t -76.3 -47.85 29.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 121.154 0.502 . . . . 0.0 110.708 178.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 44' ' ' ILE . 4.0 mm-40 -95.57 -170.27 2.12 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.567 -175.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -106.62 -40.53 5.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.931 -177.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.447 HG21 ' HB3' ' A' ' 55' ' ' MET . 29.6 m -49.85 123.61 15.38 Favored Pre-proline 0 C--O 1.236 0.355 0 CA-C-N 115.448 -0.796 . . . . 0.0 112.062 -176.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.438 ' HG3' ' HB2' ' A' ' 92' ' ' ALA . 40.7 Cg_exo -57.2 148.87 67.36 Favored 'Trans proline' 0 N--CA 1.46 -0.449 0 C-N-CA 123.028 2.486 . . . . 0.0 111.812 173.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 41' ' ' LYS . 66.3 mt -60.73 -35.67 65.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.764 -173.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -78.45 -10.06 59.55 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 116.13 -0.486 . . . . 0.0 112.112 -174.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.529 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -103.56 -16.9 15.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.331 . . . . 0.0 111.312 -175.663 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.447 ' HB3' HG21 ' A' ' 50' ' ' THR . 24.5 ptt? -110.26 135.78 50.48 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.285 178.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -110.77 132.51 54.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.374 -178.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.466 HD13 HD23 ' A' ' 40' ' ' LEU . 54.7 mt -92.74 128.93 38.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.524 -178.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.464 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 74.8 m-85 -121.49 120.9 36.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.888 0.375 . . . . 0.0 110.804 176.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -90.7 102.1 14.85 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 176.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.0 m 60.76 17.06 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 114.16 -16.32 20.23 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 121.034 -0.603 . . . . 0.0 112.125 -177.355 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' A' ' 58' ' ' TYR . 59.9 mt -80.0 126.68 39.44 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 C-N-CA 122.262 0.225 . . . . 0.0 110.54 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -78.47 118.91 21.07 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.819 0.342 . . . . 0.0 110.474 -177.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.8 mt -83.6 88.62 7.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.027 0.442 . . . . 0.0 110.21 -178.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -86.87 -38.47 16.73 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.229 -174.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.509 ' HB2' ' HB2' ' A' ' 69' ' ' ARG . 24.9 m-20 -78.87 105.92 10.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.876 0.37 . . . . 0.0 110.599 -175.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -71.64 -27.38 63.05 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.577 0.703 . . . . 0.0 110.198 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.1 p90 -84.68 -9.98 57.73 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.086 -0.961 . . . . 0.0 111.613 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.509 ' HB2' ' HB2' ' A' ' 66' ' ' ASP . 12.4 mtt85 -83.08 152.1 25.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.163 0.506 . . . . 0.0 112.144 -176.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.488 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 8.5 m-20 -79.19 161.63 26.28 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.089 -0.959 . . . . 0.0 110.458 175.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.603 HD11 HD13 ' A' ' 40' ' ' LEU . 67.8 mt -68.0 -32.76 73.38 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.862 0.363 . . . . 0.0 110.679 176.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.417 ' OD1' ' HB3' ' A' ' 70' ' ' ASN . 2.5 p-10 -63.01 -27.56 69.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.088 177.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.459 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 14.3 mm-40 -55.62 -39.17 70.44 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-O 120.971 0.415 . . . . 0.0 110.906 175.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.447 ' HB2' HG13 ' A' ' 76' ' ' ILE . 81.3 m-85 -94.49 0.19 55.14 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.653 -178.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 73.82 30.37 61.71 Favored Glycine 0 N--CA 1.45 -0.424 0 CA-C-N 115.825 -0.625 . . . . 0.0 112.411 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.58 ' HB ' ' HB3' ' A' ' 71' ' ' LEU . 58.0 mt -76.13 119.11 23.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 121.082 0.468 . . . . 0.0 111.164 -177.346 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.2 t -114.55 -168.85 1.43 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.174 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.523 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 42.3 tt0 -72.7 147.81 45.31 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.523 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 42.3 m-85 62.71 33.78 15.25 Favored 'General case' 0 CA--C 1.518 -0.287 0 CA-C-O 121.511 0.672 . . . . 0.0 110.322 -177.519 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.5 p -78.02 133.85 37.89 Favored 'General case' 0 N--CA 1.444 -0.77 0 CA-C-N 114.835 -1.075 . . . . 0.0 109.726 174.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.595 ' HG3' ' HD2' ' A' ' 21' ' ' LYS . 40.8 tt0 -90.9 103.95 16.6 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.343 0.592 . . . . 0.0 110.585 -177.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.5 mm -98.6 108.49 22.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-N 115.213 -0.903 . . . . 0.0 109.854 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 t -91.3 122.31 42.59 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.993 0 CA-C-N 115.582 -0.735 . . . . 0.0 109.567 -178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.2 t -101.51 103.74 15.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.099 0.476 . . . . 0.0 111.0 -176.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.464 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 53.1 m-85 -91.61 130.63 37.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.727 176.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.615 HD13 HG21 ' A' ' 89' ' ' ILE . 42.4 mt -101.99 129.5 48.3 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.65 -174.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -82.29 -62.54 1.59 Allowed 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.762 0.791 . . . . 0.0 110.605 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.9 m -151.06 108.81 3.67 Favored 'General case' 0 C--N 1.311 -1.067 0 CA-C-N 114.869 -1.06 . . . . 0.0 109.103 177.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.615 HG21 HD13 ' A' ' 86' ' ' LEU . 9.9 pt -89.77 102.14 12.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-O 121.36 0.6 . . . . 0.0 112.021 -173.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -89.94 136.89 32.77 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 171.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -72.36 96.92 1.94 Allowed 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.463 -175.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . 0.438 ' HB2' ' HG3' ' A' ' 51' ' ' PRO . . . -70.22 -65.79 0.68 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.265 -177.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -87.47 -96.47 0.09 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.526 -179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 . . . . . 0 C--N 1.322 -0.59 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.766 175.947 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.2 ttp . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 163.09 -150.15 18.67 Favored Glycine 0 N--CA 1.445 -0.748 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.193 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -74.52 -36.65 63.18 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.796 0.332 . . . . 0.0 111.004 -176.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 5.1 t-160 -75.81 113.12 12.92 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -111.38 178.85 4.2 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.698 -176.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -102.9 104.63 14.87 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.264 179.266 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.2 p80 -87.43 150.44 23.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.829 0.347 . . . . 0.0 110.887 -177.165 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.6 m80 -67.55 150.82 48.32 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.133 173.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 t -145.3 120.25 10.0 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.913 177.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -96.41 25.37 5.07 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.304 0.573 . . . . 0.0 110.316 176.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -106.58 149.33 27.28 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.672 176.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.9 22.12 0.96 Allowed 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.12 0.415 . . . . 0.0 112.12 -176.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -75.67 127.24 37.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -102.23 132.44 48.16 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.382 0.61 . . . . 0.0 111.926 -170.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 9.8 mptt -78.42 142.97 37.18 Favored 'General case' 0 C--N 1.316 -0.848 0 CA-C-N 114.902 -1.044 . . . . 0.0 109.38 175.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.591 HG21 ' O ' ' A' ' 77' ' ' THR . 24.4 pt -110.14 172.42 2.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.429 -173.513 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.649 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 49.2 m80 -112.65 103.3 11.34 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.651 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 29' ' ' VAL . 34.7 m -87.43 146.33 6.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.53 178.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.524 ' HB ' ' HG2' ' A' ' 81' ' ' GLU . 27.3 m -100.73 109.79 21.84 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 45.2 t -91.63 116.76 33.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-O 121.109 0.48 . . . . 0.0 110.485 -177.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.7 mttp -103.31 105.69 16.03 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.127 179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.421 ' C ' ' H ' ' A' ' 24' ' ' SER . 11.6 m-85 -94.29 156.62 38.63 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 171.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 57.8 Cg_endo -71.92 33.86 0.28 Allowed 'Trans proline' 0 CA--C 1.535 0.556 0 C-N-CA 122.738 2.292 . . . . 0.0 112.698 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 22' ' ' PHE . 3.4 p -156.32 -53.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.602 -178.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -138.04 165.14 27.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.941 0.401 . . . . 0.0 110.778 178.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -125.68 141.05 52.21 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.383 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 50.5 p90 -152.8 158.96 43.0 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.935 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.1 m -101.36 144.55 30.04 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.586 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.401 ' O ' HG22 ' A' ' 18' ' ' VAL . 42.0 t -132.04 142.46 42.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.869 -0.419 . . . . 0.0 109.869 178.45 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.649 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 49.9 mt-10 -91.49 120.61 32.46 Favored 'General case' 0 CA--C 1.513 -0.446 0 CA-C-O 121.371 0.605 . . . . 0.0 110.889 177.389 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG12 ' HD2' ' A' ' 43' ' ' LYS . 5.6 m -137.32 154.58 30.58 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.885 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.195 177.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -75.0 152.37 38.74 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 176.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.85 -19.17 59.1 Favored 'General case' 0 C--N 1.324 -0.534 0 C-N-CA 120.988 -0.285 . . . . 0.0 111.479 -179.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 80.9 p -97.57 13.78 28.85 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.239 0.542 . . . . 0.0 110.194 176.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.485 ' HG3' ' HB2' ' A' ' 39' ' ' SER . 5.4 tp10 -65.12 147.91 52.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.721 -178.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -81.2 149.11 29.21 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.407 173.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.516 HG12 ' HE3' ' A' ' 41' ' ' LYS . 53.7 t -59.18 -32.31 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.119 0.485 . . . . 0.0 110.39 179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.619 ' HB3' ' HB3' ' A' ' 67' ' ' ASP . 12.4 p -60.98 -39.75 90.82 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.921 175.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.485 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 20.0 m -79.58 -17.63 53.47 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.036 -175.764 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.547 HD13 HD11 ' A' ' 71' ' ' LEU . 18.7 tp -72.69 -52.43 15.26 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.498 -0.773 . . . . 0.0 109.16 174.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.525 ' HB3' HG23 ' A' ' 52' ' ' ILE . 90.8 mttt -59.8 -37.51 79.34 Favored 'General case' 0 N--CA 1.462 0.161 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.067 176.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.414 ' O ' HG13 ' A' ' 46' ' ' ILE . 9.3 t70 -54.49 -54.05 46.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.046 177.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.575 ' HD2' HG12 ' A' ' 31' ' ' VAL . 62.2 mttp -62.95 -41.18 99.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.349 -178.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 70.0 mt -65.18 -35.45 75.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.823 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -71.13 -30.86 67.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.919 0.39 . . . . 0.0 111.136 179.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.7 mt -69.73 -27.77 34.69 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-O 121.341 0.591 . . . . 0.0 109.467 176.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 38.2 t -78.49 -60.04 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.319 175.058 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -111.01 152.34 26.95 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.195 0.521 . . . . 0.0 111.649 -168.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -71.6 -8.07 51.74 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.925 -171.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.638 ' HA ' ' HB3' ' A' ' 90' ' ' ASN . 26.0 m -70.3 123.25 88.56 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-O 121.316 0.579 . . . . 0.0 111.612 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.474 ' HG2' ' HD2' ' A' ' 54' ' ' ARG . 48.9 Cg_exo -56.52 143.29 88.52 Favored 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 123.452 2.768 . . . . 0.0 112.531 173.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.525 HG23 ' HB3' ' A' ' 41' ' ' LYS . 56.4 mt -60.73 -40.65 85.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.015 -177.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -72.82 -9.68 58.95 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.965 0.358 . . . . 0.0 111.965 -176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.523 ' HB3' ' O ' ' A' ' 88' ' ' SER . 60.1 mtt180 -100.3 -40.22 7.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.929 0.395 . . . . 0.0 111.296 -178.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.401 ' HB3' HG21 ' A' ' 50' ' ' THR . 26.0 ptt? -85.38 124.81 32.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.789 178.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.411 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 19.6 tt0 -111.68 131.06 55.55 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.472 -178.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.697 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . 41.2 mt -88.38 136.93 32.75 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.927 -174.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -128.81 122.27 30.14 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.832 175.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -101.43 107.36 18.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 176.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.0 t 64.53 -79.63 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.373 0 O-C-N 123.636 0.585 . . . . 0.0 110.208 -175.45 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -143.64 8.53 2.05 Favored Glycine 0 N--CA 1.446 -0.673 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 175.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 55.9 mt -95.42 125.05 48.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.412 -0.394 . . . . 0.0 110.019 -177.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -79.37 113.02 17.18 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.231 -179.258 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.697 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 56.1 mt -83.44 77.16 9.86 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.378 0.608 . . . . 0.0 110.488 -177.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.36 -53.78 4.39 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.185 -178.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -59.03 112.72 1.78 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.226 0.536 . . . . 0.0 111.661 -176.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.619 ' HB3' ' HB3' ' A' ' 38' ' ' SER . 11.8 m-20 -76.43 -34.46 58.78 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.353 -0.839 . . . . 0.0 111.36 -177.353 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 37.1 p90 -76.17 -5.16 45.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.51 -0.768 . . . . 0.0 112.005 -175.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -83.59 163.26 20.49 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.031 0.443 . . . . 0.0 111.101 179.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.455 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 5.1 m-20 -100.08 152.99 19.59 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.354 -0.839 . . . . 0.0 110.191 178.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 40' ' ' LEU . 60.1 mt -65.1 -36.85 85.58 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.679 178.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.455 ' OD1' ' HB3' ' A' ' 70' ' ' ASN . 3.5 p-10 -59.88 -28.09 67.25 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.545 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.455 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 42.3 mt-10 -66.54 -30.4 70.71 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.594 0.235 . . . . 0.0 111.225 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -86.95 -7.0 58.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.673 0.273 . . . . 0.0 111.373 -177.575 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.33 24.78 18.01 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.42 -0.895 . . . . 0.0 112.123 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.541 HG23 ' OG ' ' A' ' 80' ' ' SER . 59.4 mt -82.72 106.72 13.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 121.318 0.58 . . . . 0.0 110.006 177.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.591 ' O ' HG21 ' A' ' 16' ' ' ILE . 1.7 t -108.82 -54.42 2.52 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.318 -0.856 . . . . 0.0 111.883 -174.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.555 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 9.5 tp10 -172.57 144.78 1.49 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 -177.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.555 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 61.3 m-85 56.86 26.73 11.98 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 122.764 0.425 . . . . 0.0 111.713 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.541 ' OG ' HG23 ' A' ' 76' ' ' ILE . 6.0 p -73.68 125.25 27.62 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.887 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.524 ' HG2' ' HB ' ' A' ' 19' ' ' THR . 48.3 mt-10 -85.95 128.3 34.81 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.643 179.484 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.8 mm -112.91 117.72 56.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 177.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.5 t -91.84 119.1 38.63 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 44.0 t -96.12 103.69 14.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.196 0.522 . . . . 0.0 110.72 -176.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -91.36 112.4 24.29 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.214 177.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.535 HD22 HG21 ' A' ' 50' ' ' THR . 25.7 mt -80.34 103.41 10.19 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.854 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.411 ' HE3' ' HB3' ' A' ' 56' ' ' GLN . 23.6 mmtp -74.51 -27.14 60.41 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 122.018 0.913 . . . . 0.0 108.643 178.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.523 ' O ' ' HB3' ' A' ' 54' ' ' ARG . 23.9 t -141.32 128.22 20.57 Favored 'General case' 0 C--N 1.316 -0.856 0 CA-C-N 114.156 -1.384 . . . . 0.0 108.173 173.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 31.6 pt -71.88 171.2 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-O 120.66 0.267 . . . . 0.0 110.688 -178.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.638 ' HB3' ' HA ' ' A' ' 50' ' ' THR . 10.4 p30 -92.15 151.09 20.56 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -96.53 115.28 27.17 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.424 -0.584 . . . . 0.0 109.424 -177.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -161.16 83.96 0.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.104 -177.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 53.5 mtmt 55.81 30.61 16.09 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.871 177.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.619 -0.705 . . . . 0.0 109.86 177.516 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 ttp . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.887 0.375 . . . . 0.0 110.653 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 170.57 144.61 4.41 Favored Glycine 0 N--CA 1.446 -0.694 0 C-N-CA 120.816 -0.707 . . . . 0.0 111.956 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 68.9 m80 -112.52 139.79 47.81 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 110.17 -0.307 . . . . 0.0 110.17 -179.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 18.7 m170 -98.78 118.92 36.61 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.161 -178.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -117.97 153.36 33.75 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.692 0.282 . . . . 0.0 110.267 176.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 29.8 m80 -133.06 25.95 4.24 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.122 0.487 . . . . 0.0 109.778 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -60.77 118.51 6.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.459 -0.791 . . . . 0.0 111.128 -177.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -103.97 136.5 43.49 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.535 -0.757 . . . . 0.0 109.918 178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.6 p -83.71 46.85 1.21 Allowed 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.387 0.613 . . . . 0.0 110.234 178.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.2 t-80 -151.21 164.83 35.67 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 -175.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.25 105.52 0.15 Allowed 'General case' 0 C--O 1.235 0.332 0 CA-C-O 120.941 0.4 . . . . 0.0 110.952 176.568 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -96.53 174.14 6.99 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.448 -178.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 11.8 p -69.99 146.09 12.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.068 178.034 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.402 ' HD2' ' HA ' ' A' ' 14' ' ' ARG . 14.6 mmm180 -91.86 117.23 29.6 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-O 121.185 0.517 . . . . 0.0 110.861 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.05 135.59 33.94 Favored 'General case' 0 C--N 1.312 -1.048 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 177.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.495 HG23 ' HG2' ' A' ' 33' ' ' ARG . 31.8 pt -88.11 143.57 10.97 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-O 121.193 0.521 . . . . 0.0 110.229 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.432 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 59.6 m80 -91.27 102.65 15.36 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.382 -178.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.7 m -91.36 141.27 14.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.224 178.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 30.5 m -101.39 109.84 21.74 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 177.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.74 116.29 31.7 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.763 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.707 -174.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.491 ' HE3' ' HG2' ' A' ' 81' ' ' GLU . 1.7 mptm? -94.68 110.13 22.0 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.078 179.131 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.411 ' HB2' ' O ' ' A' ' 25' ' ' LYS . 5.7 m-85 -112.33 148.69 39.69 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.609 172.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_endo -67.62 -10.59 29.25 Favored 'Trans proline' 0 N--CA 1.463 -0.285 0 C-N-CA 122.133 1.889 . . . . 0.0 111.259 172.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 1.5 m -95.6 -37.81 10.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.602 -0.726 . . . . 0.0 111.013 179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' A' ' 22' ' ' PHE . 20.1 ptpt -167.52 174.42 7.87 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.331 -177.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 28.1 tt0 -131.67 133.13 44.56 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 176.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -151.73 161.84 42.01 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.86 0.362 . . . . 0.0 111.188 -177.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.1 m -107.79 143.69 36.0 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.812 178.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 37.1 t -130.14 141.7 45.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.583 -0.28 . . . . 0.0 110.349 -178.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -89.82 109.15 20.16 Favored 'General case' 0 CA--C 1.51 -0.56 0 CA-C-O 121.272 0.558 . . . . 0.0 110.275 172.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 33.0 m -121.18 153.6 24.76 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.709 175.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 12.0 t70 -69.47 153.58 43.3 Favored 'General case' 0 C--N 1.317 -0.826 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 -179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.495 ' HG2' HG23 ' A' ' 16' ' ' ILE . 95.7 mtt180 -66.71 -28.05 68.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.261 0.553 . . . . 0.0 110.689 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.4 p -98.82 14.53 28.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.676 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.53 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 4.9 tp10 -58.0 129.81 43.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.25 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.54 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 0.1 OUTLIER -71.72 154.58 41.25 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.296 176.719 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.432 HG12 ' HE3' ' A' ' 41' ' ' LYS . 87.0 t -61.78 -36.48 73.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 121.327 0.585 . . . . 0.0 109.787 178.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.6 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 1.7 p -62.94 -34.16 76.88 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.765 174.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 25.5 m -79.75 -32.49 41.05 Favored 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.957 -177.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.641 HD13 HD11 ' A' ' 71' ' ' LEU . 18.4 tp -62.38 -44.87 95.44 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.657 176.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.432 ' HE3' HG12 ' A' ' 37' ' ' VAL . 92.3 mttt -58.26 -44.85 88.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.79 177.228 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.518 ' O ' HG13 ' A' ' 46' ' ' ILE . 33.6 t70 -63.54 -43.19 97.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.468 179.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 26.3 mmtm -54.77 -50.48 68.35 Favored 'General case' 0 N--CA 1.463 0.175 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.629 177.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 69.4 mt -66.71 -38.87 82.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.823 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.77 -30.87 71.78 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.517 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.518 HG13 ' O ' ' A' ' 42' ' ' ASP . 98.9 mt -73.36 -36.83 49.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.973 0.416 . . . . 0.0 110.922 178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 90.0 t -81.13 -49.99 17.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.072 -179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -93.12 -171.62 2.73 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.854 -176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 17.3 m-80 -99.49 -45.14 5.92 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.255 -177.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.46 HG21 ' HB3' ' A' ' 55' ' ' MET . 16.4 m -46.3 126.75 7.58 Favored Pre-proline 0 C--O 1.236 0.375 0 CA-C-N 114.799 -1.091 . . . . 0.0 113.274 -172.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 50' ' ' THR . 35.6 Cg_exo -60.27 147.06 95.06 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 123.406 2.737 . . . . 0.0 112.039 171.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.43 ' CG2' ' HD3' ' A' ' 41' ' ' LYS . 84.8 mt -61.43 -29.06 45.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.742 -176.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.436 ' HE3' ' HB2' ' A' ' 53' ' ' LYS . 48.8 mtmt -63.43 -37.89 89.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.952 0.406 . . . . 0.0 111.96 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.442 ' NH2' ' HA ' ' A' ' 94' ' ' ASP . 48.9 mtt180 -92.06 -36.03 13.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.834 -168.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.46 ' HB3' HG21 ' A' ' 50' ' ' THR . 26.7 ptt? -83.01 130.01 35.1 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.11 0.481 . . . . 0.0 111.008 178.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -115.19 135.76 53.83 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.786 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.58 HD13 HD23 ' A' ' 40' ' ' LEU . 43.3 mt -95.6 128.76 42.74 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.171 -173.009 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.497 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 63.8 m-85 -129.23 137.98 51.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.415 176.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -123.45 112.57 17.69 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.151 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.2 t 65.79 -88.67 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.221 0 O-C-N 123.611 0.57 . . . . 0.0 110.051 -176.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.77 9.56 3.67 Favored Glycine 0 N--CA 1.448 -0.508 0 N-CA-C 110.524 -1.03 . . . . 0.0 110.524 173.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.4 mt -98.34 126.58 51.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.111 -0.545 . . . . 0.0 110.513 -176.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.3 tt0 -80.45 120.02 23.9 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.925 176.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.3 mt -80.66 80.3 7.14 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.93 -33.57 13.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.1 -175.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.484 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 59.3 m-20 -71.82 96.67 1.68 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.086 0.469 . . . . 0.0 110.663 -178.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.6 ' OD2' ' HB3' ' A' ' 38' ' ' SER . 17.2 t70 -66.52 -27.54 67.84 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.265 -0.879 . . . . 0.0 110.541 -178.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 36.2 p90 -82.21 -11.38 58.72 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.173 -0.922 . . . . 0.0 111.527 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 17.8 mtt180 -85.67 164.79 17.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.935 0.398 . . . . 0.0 111.494 -178.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.56 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 1.8 m-20 -106.31 166.99 10.13 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.668 -0.696 . . . . 0.0 109.467 -179.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.641 HD11 HD13 ' A' ' 40' ' ' LEU . 56.5 mt -64.1 -38.63 91.76 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.855 0.36 . . . . 0.0 111.318 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -59.36 -27.95 66.42 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.111 178.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.56 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 6.1 mm-40 -59.97 -33.33 71.8 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.79 178.267 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.484 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 62.5 m-85 -97.29 -5.57 36.38 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.931 0.396 . . . . 0.0 110.712 -177.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.01 26.42 53.16 Favored Glycine 0 N--CA 1.448 -0.554 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.31 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.502 HD12 HD22 ' A' ' 71' ' ' LEU . 52.7 mt -70.6 113.46 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.156 0.503 . . . . 0.0 110.558 -179.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.4 t -103.38 -168.43 1.51 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.373 -0.83 . . . . 0.0 110.133 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.432 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 40.6 tt0 -78.0 151.03 33.79 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.958 -0.386 . . . . 0.0 109.958 177.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 70.9 22.15 4.78 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-O 121.615 0.721 . . . . 0.0 109.85 -178.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.9 p -75.96 126.31 30.76 Favored 'General case' 0 N--CA 1.445 -0.683 0 CA-C-N 114.984 -1.007 . . . . 0.0 110.514 178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.491 ' HG2' ' HE3' ' A' ' 21' ' ' LYS . 60.6 mt-10 -85.78 99.63 11.48 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.41 179.018 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.2 mm -84.75 111.91 21.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.427 178.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.8 t -91.54 112.18 25.07 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.78 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.779 -178.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 43.3 t -98.8 109.94 25.14 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-O 121.188 0.518 . . . . 0.0 110.184 -179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.497 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 39.3 m-85 -90.91 109.49 20.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.253 -179.544 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.403 HD22 HG21 ' A' ' 50' ' ' THR . 16.8 mt -82.95 108.33 16.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.126 178.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 34.0 mmtp -82.37 -4.96 58.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.99 179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.4 t -81.99 78.2 8.72 Favored 'General case' 0 N--CA 1.446 -0.652 0 CA-C-N 115.633 -0.712 . . . . 0.0 109.886 178.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 8.4 pt -66.87 -33.32 62.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.261 -0.882 . . . . 0.0 109.875 174.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 -75.94 97.36 3.96 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 170.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -83.67 104.37 13.73 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.687 0.756 . . . . 0.0 112.398 -170.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -145.14 -158.3 0.88 Allowed 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 114.586 -1.188 . . . . 0.0 108.418 175.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 66.3 mttm -84.61 -71.72 0.5 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 174.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.442 ' HA ' ' NH2' ' A' ' 54' ' ' ARG . 32.9 t70 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.071 -0.966 . . . . 0.0 109.039 178.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.046 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.429 ' HA2' ' OG ' ' A' ' 38' ' ' SER . . . 162.24 130.94 1.16 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.584 -0.817 . . . . 0.0 112.836 179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 9.6 m-70 -158.13 163.55 37.48 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 122.476 0.311 . . . . 0.0 110.452 177.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -112.75 88.36 2.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.32 175.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.8 t-80 -82.51 97.46 8.45 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.204 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.9 t-160 -74.19 115.76 14.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.032 0.444 . . . . 0.0 110.059 -178.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -116.67 153.02 33.06 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.856 -177.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -142.79 86.13 1.92 Allowed 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 108.558 -0.905 . . . . 0.0 108.558 170.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.0 m -66.06 118.25 9.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 114.929 -1.032 . . . . 0.0 111.427 -171.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 32.8 p-80 -77.29 -18.39 57.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.722 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -78.97 160.7 27.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.269 176.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -71.36 102.14 2.55 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.066 0.46 . . . . 0.0 110.285 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 p -127.16 136.65 60.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.986 -177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 14' ' ' ARG . 1.0 OUTLIER -118.69 145.22 45.68 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 175.522 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.9 mptt -67.32 137.48 56.08 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.119 178.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 20.8 pt -99.93 162.39 3.1 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 115.595 -0.729 . . . . 0.0 110.748 -175.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.607 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 67.2 m80 -106.75 108.09 19.43 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.245 -178.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.8 m -97.12 146.05 8.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.688 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 23.0 m -103.08 112.33 25.12 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.406 179.678 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 50.9 t -94.61 119.16 42.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.635 -177.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.768 ' HD2' ' HG2' ' A' ' 81' ' ' GLU . 39.8 mtpt -99.65 107.24 19.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.997 -179.338 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.529 ' HZ ' ' SD ' ' A' ' 55' ' ' MET . 1.1 m-85 -115.05 150.72 44.72 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.385 176.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.461 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 15.9 Cg_endo -60.31 -24.95 79.03 Favored 'Trans proline' 0 N--CA 1.463 -0.312 0 C-N-CA 122.381 2.054 . . . . 0.0 110.88 170.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 3.8 m -72.21 -50.76 24.98 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.378 -0.828 . . . . 0.0 110.397 176.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -169.66 173.98 6.03 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.872 -175.822 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -123.71 126.05 45.85 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 175.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -142.38 167.61 21.7 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.808 0.337 . . . . 0.0 111.488 -174.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -110.77 141.24 44.36 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.541 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.0 t -127.73 142.96 42.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.369 -0.378 . . . . 0.0 109.983 178.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.607 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 46.7 mt-10 -94.85 120.25 34.76 Favored 'General case' 0 CA--C 1.511 -0.545 0 CA-C-O 121.379 0.609 . . . . 0.0 110.344 176.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.548 HG11 HD12 ' A' ' 40' ' ' LEU . 11.5 m -136.96 152.17 28.14 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.09 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.309 -178.287 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.521 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 11.4 t70 -75.12 155.82 36.65 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.486 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -70.39 -33.24 71.16 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.217 0.532 . . . . 0.0 110.235 178.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 44.7 p -93.9 13.63 22.06 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.35 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.555 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 24.5 tt0 -73.58 141.99 46.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.282 -0.872 . . . . 0.0 109.467 177.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.9 p -85.45 154.57 21.72 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.615 0.245 . . . . 0.0 111.074 -177.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.605 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 60.9 t -58.61 -29.95 40.49 Favored 'Isoleucine or valine' 0 C--O 1.234 0.287 0 CA-C-O 121.07 0.462 . . . . 0.0 110.643 179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.602 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 7.8 t -62.15 -42.06 98.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.498 177.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.1 m -71.9 -33.64 68.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.008 -179.493 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.657 HD13 HD11 ' A' ' 71' ' ' LEU . 11.6 tp -60.43 -52.2 66.22 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.854 178.044 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 93.2 mttt -57.68 -44.52 85.84 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.474 -0.785 . . . . 0.0 110.942 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.498 ' O ' HG13 ' A' ' 46' ' ' ILE . 23.3 t70 -56.6 -48.39 77.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.977 -179.306 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.485 ' NZ ' ' HA ' ' A' ' 31' ' ' VAL . 93.8 mttt -59.35 -48.56 81.16 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.42 179.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.3 mt -61.14 -38.07 78.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.598 -178.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -64.06 -29.92 71.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.387 178.139 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.498 HG13 ' O ' ' A' ' 42' ' ' ASP . 83.7 mt -75.67 -37.0 35.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.994 0.426 . . . . 0.0 110.615 178.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.1 t -78.79 -51.53 16.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.4 141.36 32.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.916 -177.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 50.0 m-80 -81.89 40.48 0.61 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.191 0.52 . . . . 0.0 110.883 -175.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 71.5 m -116.64 117.56 37.79 Favored Pre-proline 0 N--CA 1.447 -0.594 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.814 -178.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.526 ' HD2' ' HD2' ' A' ' 54' ' ' ARG . 72.2 Cg_exo -51.06 141.87 36.36 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 123.316 2.677 . . . . 0.0 112.451 173.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 74.3 mt -64.38 -28.44 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 115.762 -0.653 . . . . 0.0 111.649 -174.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -65.46 -20.32 66.31 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 111.945 0.35 . . . . 0.0 111.945 178.198 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.526 ' HD2' ' HD2' ' A' ' 51' ' ' PRO . 99.1 mtt180 -91.34 -40.25 11.58 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 120.883 0.373 . . . . 0.0 111.075 -176.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.529 ' SD ' ' HZ ' ' A' ' 22' ' ' PHE . 26.5 ptt? -93.04 123.87 36.61 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.904 -174.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 83.6 mm-40 -106.56 133.69 50.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.954 175.601 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 42.2 mt -93.35 128.49 39.4 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.766 -175.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.535 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 77.4 m-85 -128.59 139.48 52.26 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.71 176.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.463 ' CD2' HG12 ' A' ' 76' ' ' ILE . 33.7 t80 -137.21 115.71 11.96 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.21 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 74.7 p 52.83 32.3 12.11 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.503 0.721 . . . . 0.0 111.78 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 87.81 0.57 83.59 Favored Glycine 0 CA--C 1.52 0.346 0 C-N-CA 121.132 -0.556 . . . . 0.0 112.919 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 71.1 mt -91.3 126.43 43.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 110.193 -0.299 . . . . 0.0 110.193 179.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -81.51 117.6 22.05 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.121 178.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 48.2 mt -82.54 75.57 9.44 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -94.62 -21.3 18.9 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.797 -0.638 . . . . 0.0 112.008 -175.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.445 ' HB2' ' CD ' ' A' ' 69' ' ' ARG . 69.3 m-20 -98.25 112.35 24.37 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.337 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.605 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 15.8 m-20 -76.27 -20.37 57.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.714 -175.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.4 p90 -87.48 -8.85 55.96 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.923 -0.581 . . . . 0.0 112.0 -175.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.472 ' HD3' ' OH ' ' A' ' 74' ' ' TYR . 14.3 mtp180 -81.94 151.7 27.1 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-O 120.906 0.384 . . . . 0.0 110.248 178.716 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.579 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 2.9 m-20 -85.79 158.26 20.04 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.158 179.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.657 HD11 HD13 ' A' ' 40' ' ' LEU . 74.6 mt -65.77 -34.88 79.21 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 120.883 0.373 . . . . 0.0 110.826 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -64.74 -27.57 68.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.997 178.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.579 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 11.2 mm-40 -57.93 -43.62 86.4 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.083 0.468 . . . . 0.0 110.264 177.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.472 ' OH ' ' HD3' ' A' ' 69' ' ' ARG . 90.6 m-85 -78.97 -10.75 59.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.874 -179.391 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.86 30.77 22.62 Favored Glycine 0 N--CA 1.449 -0.481 0 C-N-CA 120.898 -0.668 . . . . 0.0 111.987 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.463 HG12 ' CD2' ' A' ' 59' ' ' TYR . 49.7 mt -79.11 113.71 18.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 121.032 0.444 . . . . 0.0 110.729 -179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.5 t -106.51 -171.39 1.88 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.522 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.461 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 42.1 tt0 -71.19 149.58 46.17 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.669 0.271 . . . . 0.0 110.484 178.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.0 t80 66.61 26.41 9.77 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.799 179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.7 p -74.28 125.14 27.8 Favored 'General case' 0 N--CA 1.444 -0.735 0 CA-C-N 115.244 -0.889 . . . . 0.0 109.226 173.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.768 ' HG2' ' HD2' ' A' ' 21' ' ' LYS . 30.4 tt0 -90.73 106.19 18.34 Favored 'General case' 0 N--CA 1.445 -0.702 0 CA-C-O 121.206 0.527 . . . . 0.0 110.005 -176.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.0 mm -90.52 112.73 25.35 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.004 -178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 48.2 t -88.48 114.87 27.59 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.816 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.673 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.425 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 62.0 t -92.22 112.16 25.38 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.176 0.512 . . . . 0.0 110.624 -179.142 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.535 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 51.9 m-85 -99.51 121.32 40.99 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.646 176.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.46 HD23 ' HA ' ' A' ' 55' ' ' MET . 41.4 mt -88.8 145.8 25.38 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.965 0.412 . . . . 0.0 110.655 -177.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.682 ' HE2' ' HA ' ' A' ' 87' ' ' LYS . 11.0 mmpt? -73.38 -170.98 0.88 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.092 176.133 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 40.2 m -69.81 103.89 2.31 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.027 0.442 . . . . 0.0 109.837 174.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 37.2 pt -109.68 164.32 6.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.593 -177.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -83.62 151.71 25.19 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.246 -179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 28.9 ptt180 -73.31 147.34 44.56 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.722 177.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.68 168.47 18.66 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.645 178.764 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.08 162.06 41.76 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.493 -179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.0 t70 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.747 -0.644 . . . . 0.0 109.997 178.236 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.498 ' HA ' HD11 ' A' ' 46' ' ' ILE . 24.8 ttt . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.24 -137.58 15.17 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.973 178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 -128.03 129.34 46.53 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.7 m-70 -86.72 145.03 26.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.282 0.563 . . . . 0.0 112.513 -174.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -106.32 82.69 1.78 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.264 -0.88 . . . . 0.0 108.664 168.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -152.16 80.99 1.26 Allowed 'General case' 0 C--N 1.323 -0.567 0 C-N-CA 120.745 -0.382 . . . . 0.0 111.28 -171.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 177.3 28.58 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.351 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.595 174.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -100.28 28.38 5.0 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.004 0.43 . . . . 0.0 111.694 -177.391 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -138.65 140.98 39.07 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.458 176.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 52.4 t-80 -92.56 143.87 25.9 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 66.42 25.24 10.31 Favored 'General case' 0 N--CA 1.462 0.174 0 O-C-N 123.685 0.615 . . . . 0.0 109.972 -177.377 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.76 -176.47 5.84 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.385 -0.825 . . . . 0.0 111.046 -179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 7.4 p -61.89 138.32 22.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.981 178.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.9 mtm180 -100.61 129.96 46.6 Favored 'General case' 0 N--CA 1.447 -0.589 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.845 178.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.57 138.44 58.41 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.897 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 35.7 pt -93.76 143.74 10.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.883 0 CA-C-O 121.148 0.499 . . . . 0.0 109.842 179.383 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.63 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 77.8 m80 -95.19 103.25 15.1 Favored 'General case' 0 C--N 1.315 -0.892 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.005 -178.725 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -90.89 143.54 11.0 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.926 -177.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.408 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 26.3 m -93.12 109.99 21.48 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.064 177.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.43 113.75 28.85 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-O 121.16 0.505 . . . . 0.0 110.437 -178.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 67.1 mttt -97.74 108.64 21.4 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.599 179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -102.78 153.02 38.52 Favored Pre-proline 0 C--N 1.317 -0.847 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 170.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.7 Cg_endo -58.78 -25.12 74.81 Favored 'Trans proline' 0 C--N 1.343 0.282 0 C-N-CA 122.443 2.095 . . . . 0.0 111.554 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.8 m -82.04 -54.66 5.12 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.052 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -153.68 172.02 17.91 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.05 0.452 . . . . 0.0 111.328 -176.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -120.93 139.34 53.38 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.612 -0.722 . . . . 0.0 109.991 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 33.9 p90 -153.46 162.98 40.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.672 -0.24 . . . . 0.0 110.454 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 m -106.37 142.77 35.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 179.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.9 t -127.96 140.51 48.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.271 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.63 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 50.6 mt-10 -87.38 119.55 27.75 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.58 0.705 . . . . 0.0 110.488 175.344 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.581 HG11 HD12 ' A' ' 40' ' ' LEU . 35.7 m -132.67 147.16 31.86 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.171 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.423 177.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.431 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 11.8 t70 -70.0 155.57 40.4 Favored 'General case' 0 C--N 1.317 -0.837 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -76.27 -19.29 58.45 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 119.721 -0.792 . . . . 0.0 110.102 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.0 p -100.57 14.07 32.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.049 173.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.475 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 3.9 tp10 -60.14 133.76 56.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.239 175.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.454 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 4.7 p -72.23 152.86 41.92 Favored 'General case' 0 C--N 1.319 -0.723 0 C-N-CA 120.983 -0.287 . . . . 0.0 110.38 175.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.555 HG12 ' HE3' ' A' ' 41' ' ' LYS . 40.7 t -60.97 -31.21 49.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.659 0.743 . . . . 0.0 109.317 178.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.6 t -61.09 -40.18 92.72 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 114.726 -1.125 . . . . 0.0 110.594 177.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.412 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 50.0 m -79.74 -25.29 41.11 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.474 -175.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.588 HD23 HD13 ' A' ' 57' ' ' LEU . 16.5 tp -60.55 -52.15 66.42 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 173.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.555 ' HE3' HG12 ' A' ' 37' ' ' VAL . 82.1 mttt -63.99 -39.73 94.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.535 176.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.427 ' O ' HG13 ' A' ' 46' ' ' ILE . 18.1 t70 -56.47 -50.63 71.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.288 -0.869 . . . . 0.0 111.38 -176.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 54.5 mtmt -71.65 -33.01 68.54 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -178.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 40' ' ' LEU . 77.0 mt -63.0 -35.73 72.77 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 110.242 -0.281 . . . . 0.0 110.242 172.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -68.92 -29.03 67.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.894 0.378 . . . . 0.0 111.26 177.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.498 HD11 ' HA ' ' A' ' 1' ' ' MET . 82.9 mt -75.37 -40.63 42.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-O 120.802 0.335 . . . . 0.0 110.532 178.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.5 t -77.56 -51.27 18.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.207 0.527 . . . . 0.0 110.814 178.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 -101.21 148.38 25.17 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.153 -176.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -87.3 13.33 9.93 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.965 0.412 . . . . 0.0 111.493 -173.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.445 HG21 ' HB3' ' A' ' 55' ' ' MET . 7.3 m -80.56 129.02 70.35 Favored Pre-proline 0 N--CA 1.446 -0.626 0 CA-C-O 121.064 0.459 . . . . 0.0 111.076 -178.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -57.76 135.55 69.94 Favored 'Trans proline' 0 C--O 1.235 0.339 0 C-N-CA 122.982 2.455 . . . . 0.0 112.053 172.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 41' ' ' LYS . 53.1 mt -61.12 -37.17 76.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.089 -176.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.0 mtpp -69.19 -14.7 63.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 72.3 mtt180 -107.53 -30.63 8.52 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -174.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.445 ' HB3' HG21 ' A' ' 50' ' ' THR . 26.0 ptt? -87.94 114.27 24.4 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.277 0.56 . . . . 0.0 110.646 176.188 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -103.11 134.45 46.52 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.501 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.588 HD13 HD23 ' A' ' 40' ' ' LEU . 18.6 mt -94.32 128.3 40.74 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.111 -176.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.603 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 48.5 m-85 -119.26 129.62 55.01 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.015 0.435 . . . . 0.0 111.045 177.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 47.1 t80 -126.01 120.45 30.33 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.792 179.307 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.5 t 65.23 -92.91 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 O-C-N 123.54 0.525 . . . . 0.0 109.717 -177.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -137.93 19.79 3.27 Favored Glycine 0 N--CA 1.447 -0.624 0 N-CA-C 111.099 -0.8 . . . . 0.0 111.099 174.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 42.1 mt -120.57 132.32 70.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.621 -0.29 . . . . 0.0 110.432 -176.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.603 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 15.3 pt-20 -85.36 138.65 32.14 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 171.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.4 mt -82.08 73.77 9.1 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.627 0.727 . . . . 0.0 110.17 -174.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.74 -43.91 52.5 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-N 114.886 -1.052 . . . . 0.0 111.063 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.581 ' HB3' ' HG3' ' A' ' 69' ' ' ARG . 8.4 m-20 -63.79 119.57 10.21 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.009 0.433 . . . . 0.0 109.948 178.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -96.1 -27.77 14.92 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.944 -174.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -86.52 -3.76 59.07 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.587 -0.733 . . . . 0.0 112.018 -173.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.581 ' HG3' ' HB3' ' A' ' 66' ' ' ASP . 13.4 mtp180 -91.24 168.47 11.58 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.835 -177.155 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.454 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 8.7 m120 -98.55 160.54 14.21 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.268 177.719 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.577 HD11 HD13 ' A' ' 40' ' ' LEU . 72.2 mt -63.33 -31.98 73.28 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 120.707 0.289 . . . . 0.0 111.516 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -62.44 -27.71 69.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.077 179.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -58.96 -33.28 70.47 Favored 'General case' 0 N--CA 1.463 0.225 0 CA-C-O 120.747 0.308 . . . . 0.0 111.489 178.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.498 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 89.7 m-85 -89.69 -2.82 58.38 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.134 -178.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.18 31.5 59.44 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.915 -178.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.406 HG13 ' HB2' ' A' ' 74' ' ' TYR . 53.5 mt -71.14 128.48 34.36 Favored 'Isoleucine or valine' 0 C--O 1.238 0.465 0 CA-C-O 121.417 0.627 . . . . 0.0 111.319 -177.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 9.0 t -103.86 -175.48 2.81 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.135 -0.939 . . . . 0.0 109.998 178.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.437 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 29.9 tt0 -85.63 146.86 26.66 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.648 0.261 . . . . 0.0 110.555 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 2.9 t80 65.67 25.91 11.51 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-N 115.378 -0.828 . . . . 0.0 109.625 -176.418 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 3.2 p -70.52 134.68 47.93 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 114.89 -1.05 . . . . 0.0 109.852 176.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.408 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 35.3 tt0 -85.51 99.85 11.51 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.234 0.54 . . . . 0.0 110.798 -176.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.4 mm -90.45 108.09 19.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.506 177.569 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 26.2 t -90.68 115.25 29.57 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.924 0 CA-C-N 115.584 -0.735 . . . . 0.0 109.862 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 43.2 t -93.54 103.73 14.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-O 121.32 0.581 . . . . 0.0 110.514 -177.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.44 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 34.8 m-85 -91.31 114.53 27.08 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.055 178.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 26.2 mt -80.63 124.82 29.31 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.037 -179.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -82.46 4.47 24.16 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 121.527 0.679 . . . . 0.0 109.914 177.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 31.6 t -146.44 118.33 8.17 Favored 'General case' 0 N--CA 1.447 -0.609 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.852 178.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.645 HD13 ' H ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -107.84 1.33 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.423 0.63 . . . . 0.0 109.938 178.221 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 44.4 t-20 -66.05 133.78 51.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.166 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 73.43 12.05 4.77 Favored 'General case' 0 N--CA 1.466 0.367 0 O-C-N 123.751 0.657 . . . . 0.0 112.567 176.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -79.91 99.19 7.46 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 172.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 4.5 tppp? -127.6 113.68 16.4 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.218 -173.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.414 -0.803 . . . . 0.0 109.329 174.832 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.6 mtm . . . . . 0 N--CA 1.483 1.175 0 CA-C-O 120.689 0.281 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 96.34 170.81 34.83 Favored Glycine 0 N--CA 1.447 -0.633 0 C-N-CA 120.995 -0.621 . . . . 0.0 112.656 178.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -130.89 133.77 46.18 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 177.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -76.34 130.93 38.82 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.15 0.5 . . . . 0.0 110.153 -178.091 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -90.6 136.5 33.02 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.508 -173.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -156.99 90.9 1.16 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.527 178.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.2 m-70 -65.06 116.21 6.23 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 176.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 48.7 p-80 -135.06 139.71 44.98 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.424 0.527 . . . . 0.0 112.424 -170.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.6 p -155.45 97.91 1.92 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.352 173.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 -130.31 -24.06 2.6 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.104 -176.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -94.41 172.98 7.86 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.658 -0.247 . . . . 0.0 110.515 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -80.41 59.48 3.48 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.302 0.573 . . . . 0.0 110.699 179.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -101.05 127.68 54.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.251 177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -85.49 104.28 15.13 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -69.22 135.46 50.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.621 -178.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 37.5 pt -89.05 145.39 7.45 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.946 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.827 -173.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.441 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 61.5 m80 -91.24 106.75 18.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.789 177.136 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -95.35 145.21 8.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.822 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.4 HG21 HE21 ' A' ' 26' ' ' GLN . 82.3 m -100.51 111.09 23.3 Favored 'General case' 0 C--N 1.316 -0.882 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.063 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 47.5 t -92.34 121.77 43.22 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.339 -178.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -100.55 101.56 12.51 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.438 179.246 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.445 ' CD1' ' HD2' ' A' ' 23' ' ' PRO . 2.5 m-85 -105.17 155.96 36.93 Favored Pre-proline 0 C--N 1.322 -0.624 0 CA-C-N 115.505 -0.771 . . . . 0.0 109.903 175.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.445 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 16.0 Cg_endo -59.2 -26.02 80.26 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.236 1.957 . . . . 0.0 111.133 172.428 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.8 m -68.02 -58.91 3.75 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.482 175.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -167.23 173.29 9.13 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.163 0.506 . . . . 0.0 111.114 -174.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.4 HE21 HG21 ' A' ' 19' ' ' THR . 45.4 tt0 -102.71 126.29 49.76 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.157 -0.929 . . . . 0.0 109.307 174.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -143.95 163.4 33.58 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 121.014 -0.275 . . . . 0.0 110.843 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.1 m -111.96 143.04 43.6 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.355 -177.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.1 t -129.71 146.19 34.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.304 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -88.86 118.14 28.35 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-O 121.036 0.446 . . . . 0.0 110.237 174.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.522 HG11 ' CD1' ' A' ' 40' ' ' LEU . 19.6 m -135.09 152.61 32.83 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.078 0 CA-C-N 115.742 -0.663 . . . . 0.0 109.815 177.124 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -76.04 150.75 37.29 Favored 'General case' 0 C--N 1.318 -0.767 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 176.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 54.2 ttt180 -75.88 -22.27 56.31 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.345 -0.542 . . . . 0.0 110.314 -178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 47.6 p -98.03 14.27 28.01 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.237 176.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.426 ' HG3' ' HB2' ' A' ' 39' ' ' SER . 5.4 tp10 -72.04 146.39 47.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.411 -179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.43 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 1.9 p -82.41 156.28 24.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.271 177.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 65.3 t -62.67 -35.96 72.96 Favored 'Isoleucine or valine' 0 C--O 1.236 0.384 0 CA-C-O 120.868 0.366 . . . . 0.0 110.495 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.2 t -57.76 -41.2 81.49 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.266 176.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.426 ' HB2' ' HG3' ' A' ' 35' ' ' GLU . 16.6 m -79.44 -18.45 52.13 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.903 -177.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.812 HD23 HD13 ' A' ' 57' ' ' LEU . 19.0 tp -73.09 -52.44 14.29 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.518 -0.764 . . . . 0.0 109.617 176.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 98.0 mttt -65.32 -33.12 75.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.712 178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' O ' HG13 ' A' ' 46' ' ' ILE . 32.4 t70 -54.85 -50.49 68.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.313 175.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HD2' HG12 ' A' ' 31' ' ' VAL . 59.9 mttp -61.81 -47.2 86.16 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.148 178.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.413 HG13 ' O ' ' A' ' 40' ' ' LEU . 65.8 mt -60.05 -39.44 80.35 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.182 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.373 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -66.25 -30.38 70.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.897 0.38 . . . . 0.0 111.135 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.408 HG13 ' O ' ' A' ' 42' ' ' ASP . 90.4 mt -71.97 -34.66 51.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 120.998 0.427 . . . . 0.0 110.699 177.278 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 68.3 t -81.15 -56.07 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.137 179.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -88.76 -174.62 4.59 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.457 -177.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 49.1 m-80 -102.27 -20.18 14.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 120.682 0.277 . . . . 0.0 111.096 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.592 HG21 HD22 ' A' ' 86' ' ' LEU . 10.5 m -62.27 128.76 91.6 Favored Pre-proline 0 C--N 1.323 -0.569 0 CA-C-O 121.363 0.601 . . . . 0.0 112.366 -173.386 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -57.22 146.58 81.17 Favored 'Trans proline' 0 C--O 1.235 0.332 0 C-N-CA 123.31 2.673 . . . . 0.0 112.287 172.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.91 -32.15 54.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.237 -178.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -76.34 -15.76 59.9 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.734 179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 40.6 ttt180 -98.0 -31.23 12.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.943 0.402 . . . . 0.0 111.387 -172.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.492 ' HB3' HG21 ' A' ' 50' ' ' THR . 23.2 ptt? -96.97 133.14 42.01 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.077 0.465 . . . . 0.0 111.562 -178.251 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.489 ' HB2' ' HD3' ' A' ' 87' ' ' LYS . 4.0 tp-100 -114.17 143.1 45.37 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.859 177.143 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.812 HD13 HD23 ' A' ' 40' ' ' LEU . 42.6 mt -99.74 130.19 45.93 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.529 -176.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.533 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 82.6 m-85 -123.68 123.11 39.8 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.957 0.408 . . . . 0.0 110.83 178.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -116.97 110.76 18.69 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.259 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.9 m 61.3 26.86 16.63 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.1 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.68 -15.62 60.69 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.964 -0.636 . . . . 0.0 112.398 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 68.8 mt -83.78 123.26 38.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.648 0.261 . . . . 0.0 110.846 -178.387 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -76.45 115.68 16.43 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.014 176.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 49.7 mt -82.0 79.35 8.54 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.161 -0.472 . . . . 0.0 109.809 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.38 -32.47 19.56 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.14 -177.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.409 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 4.5 m-20 -68.36 100.73 1.1 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.249 0.547 . . . . 0.0 110.511 179.305 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -72.52 -33.94 67.24 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.151 -0.931 . . . . 0.0 111.055 -174.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.3 p90 -80.6 -5.21 56.52 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.064 -0.971 . . . . 0.0 111.552 -175.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.04 160.45 18.61 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.121 0.486 . . . . 0.0 111.995 -175.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.512 ' O ' ' HB2' ' A' ' 73' ' ' GLU . 3.5 m-20 -91.83 158.9 16.07 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.225 -0.898 . . . . 0.0 109.936 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.745 HD21 HD22 ' A' ' 40' ' ' LEU . 81.9 mt -69.26 -33.06 72.67 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.745 0.307 . . . . 0.0 111.265 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -63.1 -28.1 69.84 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.8 178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.512 ' HB2' ' O ' ' A' ' 70' ' ' ASN . 36.6 mm-40 -55.56 -36.1 66.46 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.136 0.493 . . . . 0.0 110.918 176.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.525 ' HB2' HG13 ' A' ' 76' ' ' ILE . 47.2 m-85 -93.68 3.9 54.77 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.775 -176.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 74.36 17.59 79.75 Favored Glycine 0 C--N 1.332 0.34 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.605 178.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.525 HG13 ' HB2' ' A' ' 74' ' ' TYR . 64.7 mt -66.7 135.74 27.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.025 0.441 . . . . 0.0 111.35 -176.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 12.4 t -129.83 -174.18 3.24 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.64 177.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.441 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 39.2 tt0 -69.12 152.09 45.58 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.686 0.279 . . . . 0.0 110.94 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 7.5 t80 71.47 15.5 6.15 Favored 'General case' 0 C--O 1.232 0.135 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.673 176.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.3 p -75.6 141.87 42.8 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.954 175.595 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -101.79 109.43 21.19 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.147 0.498 . . . . 0.0 110.352 179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.9 mm -92.88 113.87 28.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.404 -0.816 . . . . 0.0 109.562 179.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 41.4 t -88.07 119.72 35.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.917 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.625 -178.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.3 t -102.19 108.82 24.74 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.07 0.462 . . . . 0.0 110.994 -177.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.533 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 45.1 m-85 -96.73 133.22 41.57 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.596 174.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.592 HD22 HG21 ' A' ' 50' ' ' THR . 22.8 mt -96.09 141.01 29.98 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.656 -176.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.516 ' HB3' ' NZ ' ' A' ' 87' ' ' LYS . 0.0 OUTLIER -150.88 123.32 8.42 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.94 -0.573 . . . . 0.0 109.96 175.843 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.2 m -83.72 96.83 8.83 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 177.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.423 ' O ' HD12 ' A' ' 89' ' ' ILE . 2.6 pp -62.14 140.25 19.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.285 178.241 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -74.95 94.87 2.89 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 -177.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 7.4 tmm_? -84.13 112.43 20.23 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.612 -0.722 . . . . 0.0 110.967 -173.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -126.36 155.27 42.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.639 176.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -107.07 6.79 29.28 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.019 0.438 . . . . 0.0 110.616 -177.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 24.0 t70 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.079 179.556 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.9 mmm . . . . . 0 N--CA 1.479 0.975 0 CA-C-O 120.787 0.327 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 132.17 102.59 0.86 Allowed Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.484 -0.865 . . . . 0.0 112.586 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 m-70 -119.88 134.25 55.3 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 176.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 74.9 m-70 -99.93 162.94 12.67 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.163 -0.472 . . . . 0.0 109.793 -177.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.4 m80 -85.96 -76.32 0.34 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.677 0.275 . . . . 0.0 110.751 -174.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 66.5 m-70 52.44 77.3 0.16 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.624 0.726 . . . . 0.0 111.693 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -148.6 138.73 22.38 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.05 -0.977 . . . . 0.0 109.541 177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -93.38 19.01 8.78 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 121.276 0.56 . . . . 0.0 110.397 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m -76.76 88.81 3.4 Favored 'General case' 0 N--CA 1.45 -0.472 0 CA-C-N 115.48 -0.782 . . . . 0.0 109.525 174.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.4 p80 -76.35 97.17 4.16 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.358 0.599 . . . . 0.0 111.392 -176.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -103.72 97.07 7.14 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.659 174.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.0 53.57 2.79 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.511 -175.619 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -92.79 158.38 2.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 175.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 -83.17 98.93 9.62 Favored 'General case' 0 CA--C 1.51 -0.583 0 CA-C-O 121.275 0.56 . . . . 0.0 110.928 179.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.578 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -76.8 138.08 39.64 Favored 'General case' 0 C--N 1.315 -0.93 0 CA-C-N 115.308 -0.86 . . . . 0.0 108.703 175.029 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 18.8 pt -98.45 148.39 6.03 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 CA-C-O 121.424 0.631 . . . . 0.0 111.795 -169.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.406 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 33.2 m80 -91.91 109.79 21.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.836 178.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -99.84 133.98 40.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 87.5 m -92.73 109.78 21.21 Favored 'General case' 0 C--N 1.315 -0.917 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 89.6 t -92.58 117.25 35.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.561 -176.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -99.71 105.64 17.47 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.242 178.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -99.25 154.24 37.4 Favored Pre-proline 0 C--N 1.322 -0.627 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.056 174.247 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -60.28 -18.46 52.56 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.619 2.213 . . . . 0.0 111.877 174.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 13.9 m -85.05 -67.46 0.8 Allowed 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.215 176.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.64 174.51 11.37 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 120.956 0.408 . . . . 0.0 110.759 179.321 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -110.81 139.99 45.63 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.639 -0.71 . . . . 0.0 109.55 179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -154.17 164.21 38.89 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.622 0.249 . . . . 0.0 110.417 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -110.05 140.86 43.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.836 0.351 . . . . 0.0 110.386 -178.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.4 t -125.41 143.49 38.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.406 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 50.4 mt-10 -98.11 117.42 32.43 Favored 'General case' 0 CA--C 1.51 -0.561 0 CA-C-O 121.134 0.492 . . . . 0.0 110.53 175.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.615 HG11 HD12 ' A' ' 40' ' ' LEU . 26.1 m -128.64 159.31 40.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.909 0 CA-C-N 115.435 -0.802 . . . . 0.0 109.502 176.458 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' HA ' ' HG3' ' A' ' 15' ' ' LYS . 8.5 t70 -69.44 146.39 52.03 Favored 'General case' 0 C--N 1.316 -0.869 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 4.2 ptm180 -75.27 -14.76 60.53 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.883 0.373 . . . . 0.0 111.117 -178.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.5 p -103.81 14.57 30.61 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.359 0.599 . . . . 0.0 110.295 176.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.481 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 10.3 tt0 -75.14 152.03 38.52 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.211 -176.728 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.496 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 24.9 p -89.88 159.51 16.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.563 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 57.9 t -63.64 -34.32 67.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.084 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.543 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 9.3 t -65.91 -33.91 76.91 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.477 179.111 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.1 t -79.32 -24.13 43.02 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.64 HD13 HD11 ' A' ' 71' ' ' LEU . 15.7 tp -69.79 -52.61 23.71 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.944 177.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' HB3' HG23 ' A' ' 52' ' ' ILE . 94.9 mttt -62.03 -30.25 70.84 Favored 'General case' 0 N--CA 1.461 0.123 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.056 176.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.423 ' O ' HG13 ' A' ' 46' ' ' ILE . 23.3 t70 -60.08 -50.5 73.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.937 179.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.56 ' HD2' HG12 ' A' ' 31' ' ' VAL . 58.9 mttp -64.69 -41.41 96.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.3 -179.419 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.4 mt -61.0 -33.88 57.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.481 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.6 t60 -69.62 -30.41 68.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.574 -0.285 . . . . 0.0 111.122 177.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.423 HG13 ' O ' ' A' ' 42' ' ' ASP . 74.8 mt -77.58 -36.15 22.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 120.978 0.418 . . . . 0.0 110.771 179.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 88.1 t -81.51 -51.58 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.072 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -95.88 154.19 17.36 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.419 -176.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -87.47 52.07 2.4 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.006 -178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 23.8 m -137.6 120.81 11.49 Favored Pre-proline 0 C--N 1.32 -0.688 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.1 -177.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -62.21 149.6 89.98 Favored 'Trans proline' 0 N--CA 1.463 -0.31 0 C-N-CA 122.897 2.398 . . . . 0.0 111.844 174.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.447 HG23 ' HB3' ' A' ' 41' ' ' LYS . 68.5 mt -63.64 -29.49 47.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 121.332 0.586 . . . . 0.0 110.534 -177.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -73.63 -10.5 59.76 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.602 -0.726 . . . . 0.0 112.47 -179.395 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.76 ' HG3' ' HB2' ' A' ' 88' ' ' SER . 0.2 OUTLIER -103.81 -22.26 13.55 Favored 'General case' 0 N--CA 1.464 0.24 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -178.692 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.3 ptt? -115.23 145.57 42.29 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.971 0.415 . . . . 0.0 111.731 -174.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -123.57 141.29 52.15 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.167 -0.47 . . . . 0.0 109.762 177.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 43.8 mt -98.67 134.23 41.89 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.787 0.327 . . . . 0.0 110.772 -177.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . . . . . . . . . 83.6 m-85 -122.24 129.37 52.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.673 177.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 31.0 t80 -129.43 116.88 19.67 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.172 177.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 9.6 t 61.85 27.89 17.03 Favored 'General case' 0 CA--C 1.533 0.321 0 CA-C-O 121.486 0.66 . . . . 0.0 110.189 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 91.1 -15.58 60.66 Favored Glycine 0 N--CA 1.45 -0.409 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.11 -178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 61.8 mt -80.62 126.6 39.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.827 0.346 . . . . 0.0 110.623 -178.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -79.1 116.33 19.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.472 176.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.9 mt -79.27 74.74 5.85 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.368 0.604 . . . . 0.0 110.673 -176.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.4 -24.01 22.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.081 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.5 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 70.2 m-20 -78.89 94.11 5.15 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.916 -0.402 . . . . 0.0 109.916 177.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.563 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 33.4 m-20 -71.12 -32.56 69.16 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.245 0.545 . . . . 0.0 110.947 -177.157 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.0 p90 -72.04 -19.42 61.84 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.172 -0.922 . . . . 0.0 111.429 -178.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 11.7 mtt180 -72.98 153.62 40.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.084 0.469 . . . . 0.0 111.511 -177.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.574 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 3.9 m-20 -89.7 154.75 19.69 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.772 175.645 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.64 HD11 HD13 ' A' ' 40' ' ' LEU . 55.9 mt -64.03 -39.24 93.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.913 0.387 . . . . 0.0 110.823 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -61.52 -27.49 68.64 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.491 -179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.574 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 38.4 mt-10 -65.48 -35.87 82.18 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.614 0.245 . . . . 0.0 110.91 179.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.5 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 98.1 m-85 -77.17 -28.1 53.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.33 0.586 . . . . 0.0 109.93 176.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.26 9.79 28.86 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.397 -0.819 . . . . 0.0 111.274 -175.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.634 ' HB ' ' HB3' ' A' ' 71' ' ' LEU . 62.6 mt -64.92 124.35 19.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.84 0.353 . . . . 0.0 110.218 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.3 t -144.21 -162.86 1.56 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.55 -177.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.404 ' HG2' ' HD1' ' A' ' 79' ' ' PHE . 33.2 tt0 -55.36 128.46 34.32 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 123.388 0.675 . . . . 0.0 111.389 -177.81 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.404 ' HD1' ' HG2' ' A' ' 78' ' ' GLU . 5.9 m-85 68.88 31.27 4.37 Favored 'General case' 0 N--CA 1.465 0.307 0 O-C-N 123.725 0.641 . . . . 0.0 112.262 176.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.2 p -81.63 141.14 33.95 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 174.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -93.77 120.38 33.96 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-O 121.052 0.453 . . . . 0.0 110.51 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 43.7 mm -110.49 113.91 45.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.789 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.6 t -97.32 127.25 49.77 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.306 -177.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 56.8 t -104.98 112.04 36.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 120.977 0.418 . . . . 0.0 110.915 -178.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 29.5 m-85 -101.82 137.65 39.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.781 174.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.0 mt -99.49 119.76 38.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.741 0.781 . . . . 0.0 110.717 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -89.96 -11.7 40.92 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 114.271 -1.331 . . . . 0.0 110.077 -177.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.76 ' HB2' ' HG3' ' A' ' 54' ' ' ARG . 28.1 m -145.66 109.8 4.92 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.047 175.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.448 ' O ' HD12 ' A' ' 89' ' ' ILE . 2.7 pp -88.6 139.14 17.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.05 0.452 . . . . 0.0 110.98 -177.426 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 21.8 p30 -108.19 148.0 30.53 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.951 178.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 75.8 mtp180 -119.07 -84.57 0.65 Allowed 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.358 -177.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -91.93 -21.29 20.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.844 -177.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -155.27 138.85 16.0 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.409 -179.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 12.9 t70 . . . . . 0 C--O 1.247 0.962 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 175.299 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.5 mmm . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.37 156.33 28.75 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.872 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.8 m80 -126.05 24.85 6.87 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.998 0.428 . . . . 0.0 110.758 179.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -68.94 118.68 12.17 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 178.761 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -76.85 84.82 3.42 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.741 0.781 . . . . 0.0 110.549 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 81.7 m-70 -146.59 104.2 3.73 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.579 176.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 36.6 p-80 -122.38 101.86 7.76 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.606 0.717 . . . . 0.0 110.074 178.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -143.77 130.65 20.42 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.083 -0.962 . . . . 0.0 110.069 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.9 m -136.49 126.21 25.56 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 121.09 0.471 . . . . 0.0 110.786 -177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 38.1 t60 -82.38 -21.84 35.68 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.288 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -85.08 133.76 34.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.141 -0.936 . . . . 0.0 109.792 175.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -86.48 115.15 23.79 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.873 0.368 . . . . 0.0 110.957 -178.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.1 p -152.12 141.13 14.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.891 178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.6 mtt180 -101.23 123.48 45.42 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.227 -0.442 . . . . 0.0 109.815 177.299 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -71.95 139.85 48.89 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 177.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 32.8 pt -97.52 145.86 8.62 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-O 121.347 0.594 . . . . 0.0 111.452 -171.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.648 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 73.7 m80 -98.94 102.68 14.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.3 -179.173 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.1 m -86.74 134.85 26.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.062 0.458 . . . . 0.0 110.538 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.504 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 29.1 m -90.85 110.03 21.24 Favored 'General case' 0 C--N 1.317 -0.817 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 177.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.1 t -92.67 112.06 25.46 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.932 0.396 . . . . 0.0 110.211 -176.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.639 ' HE2' ' HB3' ' A' ' 81' ' ' GLU . 66.8 mttm -97.81 108.8 21.59 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.272 -177.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -101.5 154.4 37.27 Favored Pre-proline 0 C--N 1.319 -0.756 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 172.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 26.1 Cg_exo -63.4 -15.01 45.77 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.505 2.137 . . . . 0.0 112.526 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.5 m -116.88 -11.3 10.87 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -176.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -165.79 173.28 10.81 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.841 0.353 . . . . 0.0 110.927 -176.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.504 ' OE1' ' HG2' ' A' ' 21' ' ' LYS . 29.8 tt0 -148.48 126.7 12.17 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 175.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.7 p90 -141.14 175.23 9.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.313 -178.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -118.38 143.58 46.54 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 110.241 -0.281 . . . . 0.0 110.241 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.1 t -125.6 136.21 61.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.648 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 46.2 mt-10 -93.22 113.67 25.94 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.577 0.703 . . . . 0.0 110.369 177.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.617 HG11 HD12 ' A' ' 40' ' ' LEU . 28.3 m -131.45 148.53 32.67 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.081 0 CA-C-N 114.945 -1.025 . . . . 0.0 109.833 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -68.99 161.1 29.67 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 121.195 0.521 . . . . 0.0 110.965 179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.437 ' HE ' ' HB2' ' A' ' 33' ' ' ARG . 7.5 ttm180 -73.53 -26.43 60.86 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.405 0.621 . . . . 0.0 110.242 -177.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 82.3 p -99.33 13.85 31.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.522 178.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -69.12 143.09 54.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.082 -0.508 . . . . 0.0 109.864 178.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 31.0 p -78.86 152.18 31.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.747 0.308 . . . . 0.0 110.537 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.588 HG12 ' HE3' ' A' ' 41' ' ' LYS . 22.0 t -60.71 -32.96 53.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.07 0.462 . . . . 0.0 110.107 177.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.527 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 2.2 t -69.2 -31.8 70.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.271 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 10.1 t -79.17 -30.39 43.49 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 -179.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.691 HD23 HD13 ' A' ' 57' ' ' LEU . 20.5 tp -59.1 -52.45 65.67 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-N 114.896 -1.047 . . . . 0.0 109.336 173.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.588 ' HE3' HG12 ' A' ' 37' ' ' VAL . 87.8 mttt -56.62 -45.59 81.41 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.966 178.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.487 ' O ' HG13 ' A' ' 46' ' ' ILE . 33.5 t70 -62.14 -45.02 95.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.022 -176.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.0 mtmm -64.7 -40.35 95.21 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.412 179.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 40' ' ' LEU . 77.4 mt -63.63 -37.04 78.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.891 0.377 . . . . 0.0 110.2 177.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -64.29 -28.68 69.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.993 176.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.5 mt -75.42 -31.66 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-O 120.962 0.41 . . . . 0.0 110.332 177.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.2 t -82.23 -54.48 9.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.114 178.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -99.8 153.69 18.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.686 -177.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -83.64 -1.93 55.02 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.828 0.347 . . . . 0.0 111.54 -175.368 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.483 HG23 ' HD3' ' A' ' 54' ' ' ARG . 97.6 m -73.27 126.23 90.31 Favored Pre-proline 0 C--N 1.322 -0.618 0 CA-C-O 121.139 0.495 . . . . 0.0 111.676 -178.592 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.574 ' HG2' ' HB2' ' A' ' 54' ' ' ARG . 8.7 Cg_endo -55.33 148.47 50.96 Favored 'Trans proline' 0 C--N 1.349 0.563 0 C-N-CA 123.072 2.515 . . . . 0.0 112.334 173.442 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 81.4 mt -65.61 -25.85 37.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.78 -178.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 3.4 mptp? -75.74 -23.23 56.0 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.829 -179.62 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.574 ' HB2' ' HG2' ' A' ' 51' ' ' PRO . 36.7 ttt180 -88.53 -29.46 20.06 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.006 -174.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.424 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 25.8 ptt? -106.78 134.8 49.37 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.008 -175.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.566 HE21 ' HA ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -119.14 133.16 55.94 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.213 -0.449 . . . . 0.0 109.948 178.685 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.691 HD13 HD23 ' A' ' 40' ' ' LEU . 22.3 mt -86.27 131.82 34.13 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.5 -176.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 59.5 m-85 -128.78 123.59 33.3 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.032 0.444 . . . . 0.0 110.901 176.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -107.21 126.76 52.83 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 174.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 96.4 p 55.59 -95.85 0.06 Allowed 'General case' 0 N--CA 1.467 0.412 0 O-C-N 123.826 0.704 . . . . 0.0 110.835 -173.027 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -133.98 24.01 3.66 Favored Glycine 0 N--CA 1.446 -0.691 0 N-CA-C 110.632 -0.987 . . . . 0.0 110.632 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 54.1 mt -123.65 132.43 71.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.275 -0.463 . . . . 0.0 110.311 -174.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.558 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 0.6 OUTLIER -83.23 140.32 32.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.277 0.56 . . . . 0.0 110.818 -179.542 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.625 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 49.7 mt -93.61 73.39 4.35 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.571 -0.741 . . . . 0.0 109.052 177.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.52 -30.05 37.22 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.429 -175.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -65.76 156.97 31.49 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.628 -178.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.527 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 24.6 m-20 -114.68 -33.72 5.42 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.986 176.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.6 p90 -79.07 -14.24 59.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.856 -176.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.462 ' O ' HG23 ' A' ' 37' ' ' VAL . 2.5 mmp_? -77.19 153.56 33.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.983 0.421 . . . . 0.0 110.96 -177.594 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -102.63 150.87 23.0 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.333 175.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.68 HD11 HD13 ' A' ' 40' ' ' LEU . 75.7 mt -59.21 -38.97 81.2 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.751 -176.066 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.42 ' HB3' ' HG2' ' A' ' 33' ' ' ARG . 10.6 p30 -62.6 -28.13 69.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.658 -0.246 . . . . 0.0 111.53 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -67.37 -26.87 66.68 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.935 0.397 . . . . 0.0 110.81 -179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -83.58 -6.36 59.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.832 178.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 85.57 21.91 52.33 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.527 -0.844 . . . . 0.0 111.512 -176.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.1 mt -79.36 137.44 21.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.33 . . . . 0.0 110.347 179.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.4 t -138.46 -171.01 2.95 Favored 'General case' 0 N--CA 1.451 -0.425 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.329 -176.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.413 ' HG3' ' HD2' ' A' ' 79' ' ' PHE . 7.9 tp10 -54.58 128.96 34.59 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 122.986 0.514 . . . . 0.0 111.598 -178.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.537 ' HA ' ' O ' ' A' ' 17' ' ' HIS . 33.5 m-85 57.41 59.59 3.25 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.333 -0.849 . . . . 0.0 112.202 -179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.1 p -94.54 131.31 40.41 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.588 170.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.639 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 51.4 mt-10 -84.63 117.6 23.85 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.168 0.509 . . . . 0.0 110.544 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 47.4 mm -104.12 117.27 49.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.658 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.508 HG22 ' HD2' ' A' ' 21' ' ' LYS . 33.3 t -89.34 119.75 36.95 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.852 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.424 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 61.8 t -102.34 106.89 20.66 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.104 0.478 . . . . 0.0 110.645 -177.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.494 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 67.8 m-85 -90.88 130.53 36.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.599 176.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 41.8 mt -97.19 143.51 27.92 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.878 -177.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -82.06 50.24 1.53 Allowed 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.725 0.774 . . . . 0.0 109.917 179.388 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 44.1 m -83.99 94.33 8.26 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.886 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 25.3 pt -92.59 7.15 5.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-O 121.569 0.699 . . . . 0.0 109.704 175.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 12.8 m120 -111.72 117.4 32.77 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.08 -177.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 ttp180 -66.44 -45.29 80.31 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.874 -0.787 . . . . 0.0 108.874 172.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.15 76.48 9.25 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.245 172.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.4 pttt -84.68 159.41 20.56 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.126 -175.319 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 23.7 m-20 . . . . . 0 C--O 1.244 0.771 0 CA-C-O 118.306 -0.854 . . . . 0.0 109.949 175.418 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 57.0 mtt . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 99.8 100.16 2.29 Favored Glycine 0 N--CA 1.445 -0.75 0 C-N-CA 120.837 -0.696 . . . . 0.0 112.013 -179.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.9 m-70 -81.85 102.32 10.76 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.331 0.586 . . . . 0.0 110.262 179.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -80.93 82.92 6.78 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.172 -176.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -90.73 29.58 1.31 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 114.984 -1.007 . . . . 0.0 109.471 178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -81.76 99.44 8.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.589 -178.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.4 t60 -101.48 135.65 42.63 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 175.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.1 t-80 -76.99 106.65 8.81 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.123 0.487 . . . . 0.0 111.07 -177.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.5 t -86.13 169.98 12.61 Favored 'General case' 0 C--N 1.318 -0.761 0 N-CA-C 108.824 -0.806 . . . . 0.0 108.824 173.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -79.73 0.85 28.82 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.666 0.269 . . . . 0.0 110.698 176.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 67.96 11.85 8.55 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.834 175.345 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.01 56.95 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 176.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.1 m -59.37 140.22 17.91 Favored 'Isoleucine or valine' 0 C--O 1.237 0.406 0 CA-C-N 114.973 -1.012 . . . . 0.0 112.496 -172.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.521 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 3.4 mmp_? -137.03 94.89 3.01 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.415 177.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -61.5 154.36 24.83 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 114.123 -1.399 . . . . 0.0 111.931 -171.789 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.513 HG23 ' HG2' ' A' ' 33' ' ' ARG . 9.2 pt -110.5 154.28 12.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-N 115.134 -0.939 . . . . 0.0 109.16 170.345 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.49 ' H ' ' CB ' ' A' ' 78' ' ' GLU . 0.3 OUTLIER -98.02 84.92 3.38 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.161 0.505 . . . . 0.0 109.791 -176.818 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.6 m -83.33 138.43 19.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.84 -176.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 20.0 m -94.81 110.13 22.03 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 116.353 -0.385 . . . . 0.0 109.999 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.5 t -87.5 113.94 25.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-O 121.015 0.436 . . . . 0.0 110.046 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.547 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 49.8 mtpt -102.38 99.25 9.3 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.042 -176.145 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.554 ' HE2' HG21 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -99.58 149.98 36.38 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.098 178.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.526 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 34.5 Cg_exo -59.24 -24.95 76.41 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 122.321 2.014 . . . . 0.0 111.454 173.21 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 10.1 p -80.51 -68.92 0.64 Allowed 'General case' 0 N--CA 1.448 -0.534 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.332 176.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.0 ptmt -137.4 175.73 9.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.139 0.495 . . . . 0.0 111.061 -177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 32.6 tt0 -122.11 131.31 53.9 Favored 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.604 176.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.6 p90 -147.75 151.1 35.49 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.945 0.402 . . . . 0.0 110.914 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -103.51 135.92 44.2 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.125 -178.609 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.1 t -123.87 144.2 34.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.627 0.251 . . . . 0.0 110.712 -176.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -91.46 106.4 18.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.087 0.47 . . . . 0.0 110.32 172.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.55 HG12 ' HE2' ' A' ' 43' ' ' LYS . 22.9 m -123.11 149.01 26.77 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.128 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 176.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.551 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 27.7 t70 -73.71 164.1 27.09 Favored 'General case' 0 C--N 1.321 -0.644 0 C-N-CA 120.276 -0.569 . . . . 0.0 110.494 -178.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.513 ' HG2' HG23 ' A' ' 16' ' ' ILE . 40.1 mtt-85 -74.76 -23.97 58.62 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.781 -176.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 52.7 p -97.64 13.67 29.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.932 0.396 . . . . 0.0 110.904 177.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.68 143.86 53.31 Favored 'General case' 0 C--O 1.236 0.343 0 CA-C-N 115.819 -0.628 . . . . 0.0 109.545 176.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.7 p -88.74 158.97 18.0 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.954 -0.298 . . . . 0.0 110.528 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.613 HG13 HD12 ' A' ' 57' ' ' LEU . 93.2 t -59.53 -37.02 68.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.475 177.082 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.538 ' OG ' ' HB3' ' A' ' 67' ' ' ASP . 46.3 m -62.75 -44.27 96.64 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.479 177.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 65.4 m -79.2 -23.27 43.94 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 120.842 0.353 . . . . 0.0 110.287 -175.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.911 HD23 HD13 ' A' ' 57' ' ' LEU . 16.5 tp -64.31 -48.49 75.42 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 173.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.606 ' HG3' HD11 ' A' ' 57' ' ' LEU . 51.7 mtmt -67.13 -32.91 74.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.578 177.59 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.465 ' O ' HG13 ' A' ' 46' ' ' ILE . 22.9 t70 -63.49 -45.42 90.83 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.971 177.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.55 ' HE2' HG12 ' A' ' 31' ' ' VAL . 2.7 tptt -55.41 -48.94 73.61 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.528 176.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.554 HG21 ' HE2' ' A' ' 22' ' ' PHE . 75.9 mt -62.15 -42.11 93.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.175 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -62.68 -30.8 71.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.473 -0.33 . . . . 0.0 111.767 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 42' ' ' ASP . 85.2 mt -68.67 -33.41 59.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-O 120.905 0.384 . . . . 0.0 110.786 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 96.5 t -85.21 -51.69 13.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.153 0.502 . . . . 0.0 110.825 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -83.85 -175.15 5.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.676 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 13.2 t30 -110.46 -18.8 13.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.188 0.518 . . . . 0.0 110.203 -179.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.1 m -67.33 125.64 91.38 Favored Pre-proline 0 N--CA 1.449 -0.496 0 CA-C-N 115.54 -0.754 . . . . 0.0 111.86 -178.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.777 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 38.6 Cg_exo -58.31 147.73 83.17 Favored 'Trans proline' 0 C--O 1.233 0.238 0 C-N-CA 123.233 2.622 . . . . 0.0 112.018 173.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.454 HD11 ' HA ' ' A' ' 42' ' ' ASP . 70.2 mt -59.64 -37.61 71.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.21 -178.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.83 -21.28 66.36 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.626 0.602 . . . . 0.0 112.626 -177.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.777 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 3.8 mpt_? -97.22 -15.84 20.66 Favored 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -115.31 137.72 51.73 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.851 0.358 . . . . 0.0 111.321 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -121.46 146.62 46.73 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.823 -0.436 . . . . 0.0 109.823 176.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.911 HD13 HD23 ' A' ' 40' ' ' LEU . 21.9 mt -91.33 133.52 35.37 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.683 -175.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.615 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 29.0 m-85 -125.27 127.53 46.86 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.97 0.414 . . . . 0.0 110.579 176.544 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 40.2 t80 -130.63 114.18 15.11 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.493 -179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 66.5 m 59.81 32.4 21.29 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.598 175.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.36 -2.59 83.38 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.476 178.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.9 mt -106.11 121.77 58.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 177.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.615 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 19.5 pt-20 -81.74 132.95 35.3 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.447 0.641 . . . . 0.0 110.033 177.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 24.6 mt -86.97 85.15 7.24 Favored 'General case' 0 C--N 1.317 -0.828 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.139 -178.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.28 -35.82 18.24 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.671 -173.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -78.92 111.4 15.05 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.22 -177.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.538 ' HB3' ' OG ' ' A' ' 38' ' ' SER . 1.6 m-20 -63.85 -40.3 96.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.562 -0.745 . . . . 0.0 112.364 -178.341 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 37.2 p90 -70.75 -6.94 41.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.866 -0.606 . . . . 0.0 112.401 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 24.8 mmt180 -79.34 156.03 28.19 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.18 0.514 . . . . 0.0 111.643 -176.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.583 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 12.8 m120 -103.43 158.09 16.59 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.375 177.582 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.72 HD21 HD22 ' A' ' 40' ' ' LEU . 58.7 mt -66.82 -32.96 74.58 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.895 0.379 . . . . 0.0 111.387 -178.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -66.44 -27.65 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.628 177.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.583 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 8.7 mm-40 -65.06 -34.75 79.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.958 0.409 . . . . 0.0 110.553 178.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 91.4 m-85 -86.69 -22.25 26.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.714 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 91.61 40.9 5.22 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.254 -179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.615 HD12 HD22 ' A' ' 71' ' ' LEU . 54.4 mt -88.09 130.98 36.82 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.721 0.296 . . . . 0.0 110.716 -178.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.4 t -121.34 -172.94 2.51 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.39 -178.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.49 ' CB ' ' H ' ' A' ' 17' ' ' HIS . 0.5 OUTLIER -81.77 27.96 0.43 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 121.043 0.449 . . . . 0.0 112.141 -174.799 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 85.6 m-85 -141.25 25.29 2.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.525 0.679 . . . . 0.0 109.332 -178.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.1 p -92.22 140.94 29.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.311 -0.859 . . . . 0.0 112.185 -172.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -101.74 98.44 8.71 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.058 172.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.6 mm -84.48 99.85 7.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.464 0.649 . . . . 0.0 109.573 178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.547 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 39.0 t -85.64 115.46 27.19 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.07 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.91 -176.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.481 HG11 ' CZ ' ' A' ' 22' ' ' PHE . 91.4 t -90.65 113.41 26.48 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.87 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.819 -178.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.41 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 24.5 m-85 -102.83 129.16 49.41 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.665 176.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 51.4 mt -99.62 122.87 43.27 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.932 -179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -74.32 100.65 3.81 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.473 -0.566 . . . . 0.0 109.473 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 36.0 m -82.95 43.09 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.619 -0.719 . . . . 0.0 112.326 -169.717 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 33.0 pt -69.8 -22.91 25.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 121.852 0.834 . . . . 0.0 109.074 170.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -115.82 83.52 1.95 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 107.554 -1.276 . . . . 0.0 107.554 169.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 91' ' ' ARG . 21.1 ttm-85 -102.48 125.59 49.25 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.449 -172.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -149.77 92.31 1.9 Allowed 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.627 174.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.85 108.56 8.8 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 -177.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.1 t70 . . . . . 0 C--O 1.246 0.899 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.684 -179.812 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? . . . . . 0 N--CA 1.479 1.02 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -100.95 145.55 17.09 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.576 -0.821 . . . . 0.0 112.258 -178.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -77.52 -27.55 51.74 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.688 0.28 . . . . 0.0 110.457 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 6.1 p80 -141.12 109.29 5.8 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 121.579 0.704 . . . . 0.0 111.45 178.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 5.5 p80 -120.13 76.2 1.15 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.96 -1.018 . . . . 0.0 108.819 172.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.499 ' CD2' ' HB2' ' A' ' 8' ' ' HIS . 7.6 t60 -86.53 96.48 10.08 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.642 -1.163 . . . . 0.0 109.971 -173.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 21.6 p80 -82.04 74.59 9.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.367 0.603 . . . . 0.0 110.882 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.499 ' HB2' ' CD2' ' A' ' 6' ' ' HIS . 21.6 m-70 -163.84 172.63 13.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.075 -0.966 . . . . 0.0 108.834 177.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 22.6 m -71.5 163.0 28.55 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 171.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 30.9 p80 -82.71 164.52 20.64 Favored 'General case' 0 C--O 1.236 0.367 0 C-N-CA 120.357 -0.537 . . . . 0.0 110.229 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.59 146.73 52.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.675 -178.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -87.1 80.31 8.39 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.309 0.576 . . . . 0.0 110.144 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.9 p -153.06 150.6 12.54 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.471 -178.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 73.5 mtm180 -100.28 127.24 46.62 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.925 0.393 . . . . 0.0 110.559 -177.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -75.1 137.98 41.77 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 177.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 23.8 pt -99.74 147.24 7.58 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.999 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.067 -175.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.671 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 72.0 m80 -93.46 99.29 11.8 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.807 179.017 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -89.06 144.76 8.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.019 -177.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.4 m -94.32 109.88 21.68 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.264 -0.426 . . . . 0.0 109.943 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.3 t -99.21 119.61 47.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-O 120.918 0.39 . . . . 0.0 110.541 -176.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.683 ' HE2' HG22 ' A' ' 83' ' ' VAL . 38.7 mtmt -107.73 113.02 25.98 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.391 -178.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.428 ' HE2' ' HG1' ' A' ' 50' ' ' THR . 10.6 m-85 -96.1 160.42 29.97 Favored Pre-proline 0 C--N 1.318 -0.777 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 171.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.51 -1.35 3.82 Favored 'Trans proline' 0 CA--C 1.532 0.389 0 C-N-CA 122.427 2.085 . . . . 0.0 112.117 177.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 19.4 m -108.81 -58.45 2.01 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.64 178.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.81 173.95 12.32 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 120.806 0.336 . . . . 0.0 111.261 -178.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.489 HE21 ' HG2' ' A' ' 21' ' ' LYS . 34.5 tt0 -118.74 141.11 48.92 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.44 -177.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -150.64 173.77 13.76 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.598 -0.274 . . . . 0.0 110.274 178.064 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.1 m -117.11 142.43 47.01 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.613 0.244 . . . . 0.0 110.547 -178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 42.0 t -125.98 141.25 46.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.16 178.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.671 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 48.9 mt-10 -90.51 111.55 22.87 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-O 121.084 0.468 . . . . 0.0 110.28 175.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.492 HG12 ' HG3' ' A' ' 43' ' ' LYS . 35.7 m -130.59 149.35 33.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.984 0 CA-C-N 115.381 -0.827 . . . . 0.0 110.86 -179.35 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -67.2 152.69 45.28 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.328 178.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 73.6 mtp180 -70.94 -32.23 69.05 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.415 0.626 . . . . 0.0 109.552 175.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.5 p -91.67 11.16 25.34 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.289 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.557 ' HG3' ' HB3' ' A' ' 39' ' ' SER . 4.9 tp10 -66.9 139.99 57.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.449 -0.796 . . . . 0.0 108.914 176.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.7 p -83.47 156.71 22.74 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.768 0.318 . . . . 0.0 111.078 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 84.1 t -56.99 -35.33 47.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.175 0.512 . . . . 0.0 110.878 178.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 12.9 p -71.25 -29.27 64.89 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.882 179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.557 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 8.5 t -80.35 -28.48 38.04 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.029 -0.73 . . . . 0.0 109.029 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.71 HD23 HD13 ' A' ' 57' ' ' LEU . 21.8 tp -61.42 -47.46 85.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.353 -0.839 . . . . 0.0 109.5 174.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' HB3' HG23 ' A' ' 52' ' ' ILE . 90.5 mttt -58.11 -40.82 82.17 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.357 175.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.421 ' O ' HG13 ' A' ' 46' ' ' ILE . 17.7 t70 -58.14 -46.66 85.24 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.091 -0.959 . . . . 0.0 110.6 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.502 ' HG2' ' O ' ' A' ' 39' ' ' SER . 72.6 mmtt -57.07 -51.1 70.61 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.608 177.836 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.4 ' HB ' ' HE1' ' A' ' 55' ' ' MET . 61.0 mt -61.96 -33.88 60.3 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.416 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.122 -177.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -69.87 -29.53 66.77 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.762 0.315 . . . . 0.0 111.071 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 42' ' ' ASP . 74.2 mt -76.89 -37.18 26.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.189 0.518 . . . . 0.0 110.464 177.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.3 t -79.6 -53.76 12.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.182 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -91.14 171.64 9.11 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.771 -178.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -98.99 4.39 47.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.217 0.532 . . . . 0.0 110.29 179.399 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.428 ' HG1' ' HE2' ' A' ' 22' ' ' PHE . 7.9 m -78.51 124.43 85.41 Favored Pre-proline 0 N--CA 1.445 -0.684 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.185 -177.042 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.78 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 31.9 Cg_exo -60.64 139.2 84.57 Favored 'Trans proline' 0 N--CA 1.458 -0.579 0 C-N-CA 122.643 2.229 . . . . 0.0 111.112 171.115 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.446 HG23 ' HB3' ' A' ' 41' ' ' LYS . 61.4 mt -57.49 -35.51 50.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.533 -177.166 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -71.11 -10.19 59.33 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.15 -0.477 . . . . 0.0 112.143 -178.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.78 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 2.9 mpt_? -96.76 -24.71 15.81 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 -176.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.4 ' HE1' ' HB ' ' A' ' 44' ' ' ILE . 23.4 ptt? -110.93 138.11 47.74 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 121.33 0.586 . . . . 0.0 112.408 -170.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.415 ' HG2' ' HE3' ' A' ' 87' ' ' LYS . 0.8 OUTLIER -111.18 140.37 45.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.067 -0.97 . . . . 0.0 109.721 177.311 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.71 HD13 HD23 ' A' ' 40' ' ' LEU . 58.4 mt -101.85 129.89 48.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.694 -0.23 . . . . 0.0 111.049 -175.233 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.405 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 93.1 m-85 -126.82 121.64 32.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.002 0.43 . . . . 0.0 111.043 177.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.434 ' O ' HG12 ' A' ' 62' ' ' ILE . 39.9 t80 -104.32 104.38 14.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.084 177.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 59.7 m 62.36 8.95 3.03 Favored 'General case' 0 CA--C 1.535 0.398 0 CA-C-O 120.878 0.37 . . . . 0.0 111.71 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 118.16 -16.89 11.77 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.836 -0.697 . . . . 0.0 111.79 -175.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.434 HG12 ' O ' ' A' ' 59' ' ' TYR . 12.9 mm -77.9 115.14 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 178.332 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -71.86 117.16 13.11 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.509 -0.476 . . . . 0.0 109.73 177.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.5 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 41.0 mt -79.26 82.32 5.42 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.535 179.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.68 6.69 34.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.402 -176.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -107.71 91.19 3.55 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.28 -179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -61.36 -28.39 69.19 Favored 'General case' 0 N--CA 1.467 0.412 0 N-CA-C 111.832 0.308 . . . . 0.0 111.832 -176.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.4 p90 -86.17 3.0 44.73 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.913 -176.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 59.2 mtt180 -95.94 151.72 19.16 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.133 0.492 . . . . 0.0 111.254 179.085 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.543 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 3.9 m-20 -88.13 152.25 22.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.387 -0.824 . . . . 0.0 108.97 174.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.561 HD11 HD13 ' A' ' 40' ' ' LEU . 67.8 mt -58.04 -37.28 74.07 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.65 0.738 . . . . 0.0 109.523 176.483 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -56.08 -29.51 60.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.362 176.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.543 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 9.8 mm-40 -66.27 -36.52 83.2 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.54 -178.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.466 ' HB2' HG13 ' A' ' 76' ' ' ILE . 98.4 m-85 -80.27 -11.59 59.71 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.39 178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 87.47 24.01 37.89 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.855 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.466 HG13 ' HB2' ' A' ' 74' ' ' TYR . 58.4 mt -69.83 118.21 13.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.027 0.442 . . . . 0.0 110.96 -177.504 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.9 t -109.74 -168.54 1.34 Allowed 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.934 178.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.442 ' HG3' ' H ' ' A' ' 17' ' ' HIS . 40.7 tt0 -75.95 146.34 39.7 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.299 -0.251 . . . . 0.0 110.36 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 64.21 23.31 13.09 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.342 -177.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 5.7 p -68.44 142.5 55.35 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.76 -0.654 . . . . 0.0 109.28 171.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -94.36 102.99 14.99 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-O 121.335 0.588 . . . . 0.0 110.613 -175.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.7 mm -93.85 107.41 19.23 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.444 -0.798 . . . . 0.0 109.649 178.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.683 HG22 ' HE2' ' A' ' 21' ' ' LYS . 12.9 t -89.3 120.16 37.57 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.099 0 CA-C-N 115.514 -0.766 . . . . 0.0 109.216 -179.3 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 91.5 t -104.43 112.36 37.7 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-O 121.012 0.434 . . . . 0.0 110.697 -178.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -105.36 137.5 43.07 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.549 175.15 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 36.5 mt -97.84 121.74 40.12 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 -177.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.415 ' HE3' ' HG2' ' A' ' 56' ' ' GLN . 72.7 mmtt -87.96 -17.91 30.25 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.603 0.716 . . . . 0.0 109.113 -179.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 4.6 p -144.55 140.72 28.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 114.7 -1.136 . . . . 0.0 109.047 174.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.4 pt -120.76 129.26 75.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.094 0.473 . . . . 0.0 111.274 -174.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -160.88 125.62 3.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.075 177.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 33.1 mmt180 -81.56 93.09 6.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 175.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -87.42 149.26 24.57 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.552 -173.547 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 24.9 tptp -89.85 98.27 11.67 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.78 176.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 15.6 p-10 . . . . . 0 C--O 1.245 0.84 0 CA-C-N 116.094 -0.503 . . . . 0.0 109.922 177.195 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.482 1.17 0 CA-C-O 120.619 0.247 . . . . 0.0 111.118 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 95.64 144.69 17.36 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.653 -0.784 . . . . 0.0 113.184 174.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 67.9 m80 -128.27 143.06 50.99 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.078 -0.712 . . . . 0.0 109.078 175.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.1 t60 -119.42 17.57 12.96 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 111.732 0.271 . . . . 0.0 111.732 -169.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 66.54 -78.23 0.04 OUTLIER 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.831 0.453 . . . . 0.0 111.656 178.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.0 t-160 -88.77 125.71 35.01 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.321 -175.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -83.07 121.48 27.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.149 0.5 . . . . 0.0 111.935 -172.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.6 p80 -163.65 155.76 17.45 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.894 -1.048 . . . . 0.0 108.753 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 24.6 m -59.07 119.86 8.07 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.029 0.443 . . . . 0.0 111.184 -177.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 28.0 p80 -87.71 4.64 43.32 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.478 0.656 . . . . 0.0 110.084 176.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -135.01 178.48 6.99 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.869 175.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -62.95 137.02 58.15 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 110.235 -0.283 . . . . 0.0 110.235 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.1 p -61.98 124.57 16.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.499 0.666 . . . . 0.0 110.016 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' HA ' ' HD3' ' A' ' 14' ' ' ARG . 39.9 mmt-85 -121.53 141.16 51.33 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.735 -172.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' N ' ' HD2' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -93.32 137.17 32.89 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-N 115.069 -0.969 . . . . 0.0 109.194 177.034 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 26.2 pt -99.41 149.47 5.64 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.93 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.538 -175.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.534 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 66.5 m80 -96.69 97.28 9.22 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.956 -0.565 . . . . 0.0 109.859 179.17 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.0 m -86.47 144.35 9.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.733 -177.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.418 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 24.5 m -99.05 109.39 22.13 Favored 'General case' 0 C--N 1.316 -0.869 0 CA-C-N 116.28 -0.418 . . . . 0.0 109.922 179.463 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.2 t -96.07 123.27 48.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 120.809 0.337 . . . . 0.0 110.658 -176.394 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -112.23 115.43 28.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.776 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.42 ' C ' ' H ' ' A' ' 24' ' ' SER . 15.2 m-85 -96.94 163.85 19.2 Favored Pre-proline 0 C--N 1.32 -0.709 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 172.679 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_endo -68.95 34.0 0.18 Allowed 'Trans proline' 0 CA--C 1.535 0.567 0 C-N-CA 122.993 2.462 . . . . 0.0 113.464 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 22' ' ' PHE . 75.7 m -162.37 -31.12 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.261 0 C-N-CA 122.509 0.324 . . . . 0.0 111.524 179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.2 pttt -149.2 172.21 15.2 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-O 121.136 0.493 . . . . 0.0 111.933 -174.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -136.9 131.68 33.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.152 178.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -147.38 160.58 42.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.6 -0.273 . . . . 0.0 110.481 179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -103.94 141.88 35.39 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.722 -177.603 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 43.8 t -127.27 142.55 43.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 N-CA-C 110.045 -0.354 . . . . 0.0 110.045 178.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.534 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 56.4 mt-10 -92.38 112.9 25.01 Favored 'General case' 0 CA--C 1.509 -0.622 0 CA-C-O 121.271 0.558 . . . . 0.0 110.683 176.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.568 HG11 HD12 ' A' ' 40' ' ' LEU . 20.9 m -128.98 156.96 41.91 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.207 0 CA-C-N 115.103 -0.953 . . . . 0.0 108.963 176.18 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -71.49 157.86 37.27 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-O 120.683 0.278 . . . . 0.0 110.334 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 18.2 ttp180 -74.32 -21.75 59.57 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.39 0.615 . . . . 0.0 110.282 177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 59.4 p -100.29 14.33 31.35 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.13 176.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -59.58 138.55 57.68 Favored 'General case' 0 C--O 1.234 0.285 0 CA-C-N 115.342 -0.845 . . . . 0.0 110.133 177.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 44.2 p -82.13 150.5 27.42 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.593 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 87.5 t -57.72 -34.61 48.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.111 0.481 . . . . 0.0 110.649 178.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.534 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 25.8 t -63.14 -42.39 99.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.907 178.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 62.9 m -79.55 -21.55 45.0 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 -177.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.688 HD13 HD11 ' A' ' 71' ' ' LEU . 20.8 tp -62.43 -51.83 65.96 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 174.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.547 ' HB3' HG23 ' A' ' 52' ' ' ILE . 96.4 mttt -63.49 -34.85 78.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.325 177.027 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.419 ' O ' HG13 ' A' ' 46' ' ' ILE . 25.5 t70 -60.45 -49.98 75.38 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.866 178.167 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.505 ' HA ' HD12 ' A' ' 46' ' ' ILE . 58.4 mttp -63.01 -37.94 89.21 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.181 178.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 76.9 mt -64.34 -38.05 81.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.459 176.782 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.4 t60 -62.87 -30.84 71.82 Favored 'General case' 0 CA--C 1.533 0.292 0 CA-C-O 120.992 0.425 . . . . 0.0 111.138 177.475 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 43' ' ' LYS . 79.2 mt -68.68 -31.88 52.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.232 0.539 . . . . 0.0 110.35 178.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 43.3 t -78.79 -57.61 5.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.384 0.611 . . . . 0.0 110.317 173.45 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.4 ' C ' ' H ' ' A' ' 50' ' ' THR . 2.8 tp10 -113.18 129.78 56.41 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.395 -0.82 . . . . 0.0 109.876 -172.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.47 22.24 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -174.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.4 ' H ' ' C ' ' A' ' 48' ' ' GLU . 23.9 m -79.87 126.42 80.07 Favored Pre-proline 0 N--CA 1.447 -0.608 0 CA-C-O 120.851 0.357 . . . . 0.0 110.254 179.098 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.557 ' HG2' ' HD2' ' A' ' 54' ' ' ARG . 52.6 Cg_exo -51.76 135.43 49.57 Favored 'Trans proline' 0 C--O 1.235 0.351 0 C-N-CA 123.171 2.58 . . . . 0.0 112.611 175.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.547 HG23 ' HB3' ' A' ' 41' ' ' LYS . 95.7 mt -63.83 -36.57 77.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.526 -0.761 . . . . 0.0 111.864 -174.459 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -71.81 -16.67 62.18 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 111.744 0.275 . . . . 0.0 111.744 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.557 ' HD2' ' HG2' ' A' ' 51' ' ' PRO . 80.3 mtt180 -95.92 -35.08 11.58 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -174.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 24.6 ptt? -91.23 119.49 31.35 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.332 0.587 . . . . 0.0 110.711 178.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -104.3 137.59 41.98 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.867 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.418 HD13 HD23 ' A' ' 40' ' ' LEU . 59.3 mt -97.55 130.58 44.59 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.679 -176.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.413 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 76.0 m-85 -120.4 129.8 54.08 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.704 177.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.518 ' CE1' ' HB3' ' A' ' 80' ' ' SER . 47.3 t80 -122.32 118.2 27.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.306 179.43 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 63.8 m 66.65 -80.91 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.216 0 O-C-N 123.78 0.675 . . . . 0.0 110.608 178.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -148.32 15.3 1.29 Allowed Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 110.631 -0.988 . . . . 0.0 110.631 175.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 52.9 mt -115.65 128.83 72.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 114.949 -0.626 . . . . 0.0 110.455 -173.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -80.4 126.56 31.34 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 174.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.01 67.77 8.14 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.31 0.576 . . . . 0.0 109.837 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -78.54 -35.7 45.75 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.145 -178.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.552 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 10.2 m-20 -79.66 103.69 9.74 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.593 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 22.2 m-20 -75.97 -23.28 55.33 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.087 -174.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.3 p90 -84.06 -5.97 59.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.656 -173.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 16.3 mtm180 -92.71 161.67 14.46 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.848 -0.341 . . . . 0.0 111.151 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -94.52 152.84 18.24 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.284 -178.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.688 HD11 HD13 ' A' ' 40' ' ' LEU . 55.4 mt -59.32 -39.86 84.46 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 112.343 0.497 . . . . 0.0 112.343 -175.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -62.54 -28.42 69.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.853 -0.158 . . . . 0.0 111.422 -176.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -63.35 -34.22 77.24 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.945 0.402 . . . . 0.0 110.939 179.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.552 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 91.7 m-85 -82.98 -4.97 58.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.378 179.038 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 89.55 12.7 62.39 Favored Glycine 0 N--CA 1.447 -0.57 0 CA-C-N 115.919 -0.582 . . . . 0.0 112.246 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.45 ' HB ' ' HB3' ' A' ' 71' ' ' LEU . 49.7 mt -74.41 134.36 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.051 0.453 . . . . 0.0 110.705 -177.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.6 t -139.57 -164.95 1.78 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.829 -177.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -69.59 140.3 53.77 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 177.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 4.6 t80 72.87 12.27 5.21 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 123.303 0.641 . . . . 0.0 110.626 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.518 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 58.5 m -73.67 129.83 38.76 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.129 -0.487 . . . . 0.0 109.939 173.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.418 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 35.4 tt0 -86.28 122.86 30.85 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.537 -176.528 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 48.7 mm -110.4 115.79 50.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 115.767 -0.652 . . . . 0.0 109.773 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 20.3 t -94.24 126.29 46.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.826 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.015 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.8 t -99.64 105.23 17.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 121.184 0.516 . . . . 0.0 110.959 -177.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.413 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 35.3 m-85 -98.43 122.26 41.39 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.238 176.558 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 23.9 mt -86.91 121.38 29.31 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.056 -179.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -76.34 -30.1 57.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.264 0.554 . . . . 0.0 110.534 -179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.0 m -110.67 104.08 12.72 Favored 'General case' 0 C--N 1.315 -0.893 0 CA-C-N 115.3 -0.863 . . . . 0.0 109.361 176.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 42.1 pt -91.3 -18.43 7.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.213 -175.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.2 t-20 -75.73 108.66 8.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.038 0.447 . . . . 0.0 110.311 -179.065 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -86.09 158.41 19.81 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.079 -178.655 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -85.1 -174.12 5.08 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.121 174.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -99.95 142.38 31.51 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.087 179.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 38.0 t70 . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.908 -0.568 . . . . 0.0 110.012 177.015 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.9 mtt . . . . . 0 N--CA 1.481 1.105 0 N-CA-C 109.946 -0.39 . . . . 0.0 109.946 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 58.99 -132.92 52.79 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.792 -176.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 t60 -122.39 39.85 3.81 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 177.67 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.7 t-80 -68.88 91.39 0.46 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.963 179.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -117.92 62.24 0.76 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.531 -173.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -161.07 147.39 14.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.265 177.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -107.83 98.82 8.35 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.774 178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -98.98 -6.58 28.37 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.106 0.479 . . . . 0.0 109.924 176.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.0 t -104.75 140.49 38.01 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.769 -178.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -118.66 142.68 47.42 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 174.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -150.27 -168.83 3.22 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.213 -177.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -77.26 71.85 3.78 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.345 0.593 . . . . 0.0 110.031 176.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.8 m -75.27 145.8 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.267 -175.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.499 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 4.7 mmp_? -121.61 123.83 42.89 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.069 0.462 . . . . 0.0 111.067 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.1 mmtt -83.58 148.71 27.01 Favored 'General case' 0 N--CA 1.445 -0.676 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.34 176.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.567 ' HB ' ' HA ' ' A' ' 78' ' ' GLU . 17.3 pt -121.05 151.68 24.15 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.112 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.892 -178.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.641 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 41.4 m80 -98.8 111.89 24.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.08 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.8 m -101.97 137.31 30.25 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.627 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.416 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 53.5 m -90.61 110.61 21.76 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.261 179.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 48.1 t -89.97 111.38 23.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.056 0.455 . . . . 0.0 110.407 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.764 ' HE2' ' HB3' ' A' ' 81' ' ' GLU . 67.7 mttm -92.56 95.62 9.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.199 178.661 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.49 ' HE2' HG21 ' A' ' 44' ' ' ILE . 0.2 OUTLIER -103.29 142.88 25.49 Favored Pre-proline 0 C--N 1.317 -0.826 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.375 179.25 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.6 Cg_endo -59.48 -19.85 53.85 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.398 2.065 . . . . 0.0 110.87 171.134 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.0 t -75.14 -69.83 0.45 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.636 174.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -152.83 174.63 13.82 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.422 175.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -112.3 127.19 55.92 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.012 -179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -147.51 159.1 44.12 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.499 -178.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 m -105.76 140.31 38.99 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.052 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 39.4 t -123.11 141.53 43.12 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.248 -179.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.641 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 51.5 mt-10 -89.58 117.15 28.26 Favored 'General case' 0 CA--C 1.508 -0.653 0 CA-C-O 121.214 0.531 . . . . 0.0 110.318 174.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.59 HG11 HD12 ' A' ' 40' ' ' LEU . 11.5 m -132.91 156.19 42.01 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.24 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.211 178.752 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -76.24 160.26 29.84 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 175.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 38.9 ptt180 -73.42 -20.17 60.79 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.063 0.458 . . . . 0.0 110.259 176.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 62.4 p -100.81 14.77 30.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.355 175.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.508 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 17.1 tp10 -61.74 133.64 55.79 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.768 177.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.499 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 0.2 OUTLIER -72.37 150.0 43.85 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.535 -179.304 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.596 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 92.7 t -57.51 -43.57 83.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.125 0.488 . . . . 0.0 110.716 178.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.404 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 0.2 OUTLIER -69.42 -26.68 64.74 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.507 178.875 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 33.3 m -79.31 -29.6 42.46 Favored 'General case' 0 N--CA 1.448 -0.539 0 N-CA-C 109.149 -0.686 . . . . 0.0 109.149 -179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.713 HD22 HD21 ' A' ' 71' ' ' LEU . 18.1 tp -64.27 -49.98 69.74 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.131 -0.941 . . . . 0.0 109.185 173.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.542 ' HB3' HG23 ' A' ' 52' ' ' ILE . 98.5 mttt -62.14 -37.17 84.15 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.276 -0.875 . . . . 0.0 110.683 177.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.484 ' O ' HG13 ' A' ' 46' ' ' ILE . 26.4 t70 -60.37 -48.33 82.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.377 178.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.5 ' CD ' HG12 ' A' ' 31' ' ' VAL . 49.4 mttp -59.68 -44.82 93.47 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.408 177.701 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.49 HG21 ' HE2' ' A' ' 22' ' ' PHE . 74.0 mt -63.26 -37.22 78.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.653 -0.249 . . . . 0.0 110.525 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -64.87 -29.58 70.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.899 0.38 . . . . 0.0 111.059 178.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 42' ' ' ASP . 89.3 mt -74.93 -36.51 39.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.065 0.459 . . . . 0.0 110.918 179.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 89.8 t -80.07 -53.12 13.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.043 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -86.42 -177.81 6.29 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.968 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 57.5 m-80 -116.3 20.91 13.99 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.406 0.622 . . . . 0.0 109.93 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 32.8 m -99.07 123.41 49.11 Favored Pre-proline 0 N--CA 1.444 -0.739 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.778 -178.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.754 ' HG2' HH11 ' A' ' 54' ' ' ARG . 54.1 Cg_exo -52.67 143.79 45.31 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.577 2.851 . . . . 0.0 112.98 175.27 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.542 HG23 ' HB3' ' A' ' 41' ' ' LYS . 64.6 mt -61.08 -39.67 83.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.482 -177.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.421 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 3.0 mmmp? -73.15 -9.86 59.17 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.978 -176.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.754 HH11 ' HG2' ' A' ' 51' ' ' PRO . 43.4 mtt180 -99.08 -34.99 10.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.793 0.33 . . . . 0.0 111.66 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.404 ' SD ' ' HZ ' ' A' ' 22' ' ' PHE . 24.3 ptt? -94.1 125.68 38.88 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.21 0.529 . . . . 0.0 111.777 -177.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.7 tp-100 -107.78 134.76 50.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.616 176.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.433 HD13 HD23 ' A' ' 40' ' ' LEU . 54.3 mt -96.76 129.18 44.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.04 -174.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.496 ' CE2' ' HB3' ' A' ' 63' ' ' GLU . 35.2 m-85 -117.2 122.33 43.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.151 0.501 . . . . 0.0 110.979 176.083 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.407 ' HE1' ' HB2' ' A' ' 80' ' ' SER . 39.3 t80 -104.7 105.52 15.64 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.98 -0.554 . . . . 0.0 109.84 176.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.2 m 61.59 22.22 12.74 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.398 178.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 105.6 -19.17 39.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.229 -178.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 57.4 mt -85.8 123.38 39.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.496 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 0.3 OUTLIER -83.03 132.49 35.13 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.443 0.64 . . . . 0.0 111.089 -176.617 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 26.6 mt -87.33 76.93 9.04 Favored 'General case' 0 C--N 1.318 -0.775 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 178.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.33 -14.17 27.23 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.458 -0.792 . . . . 0.0 112.029 -171.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 35.1 m-20 -101.69 87.49 3.17 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.26 0.552 . . . . 0.0 110.27 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.596 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 0.7 OUTLIER -55.56 -26.14 41.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.104 -0.953 . . . . 0.0 112.882 -176.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.2 p90 -83.46 4.16 28.97 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 112.143 0.423 . . . . 0.0 112.143 -175.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 51.5 mtp180 -101.97 171.63 7.4 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 176.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.499 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 85.8 m-20 -107.66 164.34 12.32 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 177.365 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.713 HD21 HD22 ' A' ' 40' ' ' LEU . 63.9 mt -62.22 -34.11 75.86 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.671 -177.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -59.4 -27.73 66.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.319 179.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -67.54 -27.1 66.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.703 179.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -97.04 -7.56 32.55 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.649 -178.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 81.72 34.21 25.51 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.831 -0.699 . . . . 0.0 112.096 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.611 HD12 HD22 ' A' ' 71' ' ' LEU . 43.5 mt -86.25 132.29 32.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 120.744 0.307 . . . . 0.0 110.485 -179.042 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 13.7 t -130.19 -169.06 2.06 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.193 -177.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.567 ' HA ' ' HB ' ' A' ' 16' ' ' ILE . 42.1 tt0 -68.98 140.94 55.04 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.707 0.289 . . . . 0.0 111.071 -177.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 6.2 t80 73.11 20.3 3.42 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.847 175.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.407 ' HB2' ' HE1' ' A' ' 59' ' ' TYR . 63.1 p -76.24 134.62 39.77 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.352 176.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.764 ' HB3' ' HE2' ' A' ' 21' ' ' LYS . 51.4 mt-10 -91.4 122.41 33.98 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.581 179.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 42.9 mm -106.29 119.59 55.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.806 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.638 HG22 ' HD2' ' A' ' 21' ' ' LYS . 46.1 t -93.55 122.45 45.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.821 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 42.6 t -100.55 111.24 29.62 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-O 121.064 0.459 . . . . 0.0 111.367 -177.122 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 62.2 m-85 -96.51 128.43 43.43 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.4 173.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 31.1 mt -90.37 127.46 36.19 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-O 121.061 0.457 . . . . 0.0 110.211 -178.114 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.473 ' HA ' ' HD3' ' A' ' 87' ' ' LYS . 69.9 mmtt -99.27 96.22 7.59 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.253 -179.095 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 7.6 t -84.66 91.61 7.97 Favored 'General case' 0 N--CA 1.443 -0.81 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.121 179.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.5 pt -97.34 116.78 40.64 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.877 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.15 -179.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.5 t-20 -134.36 125.53 27.77 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.04 -177.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.586 ' HD2' ' H ' ' A' ' 91' ' ' ARG . 0.1 OUTLIER -121.65 140.65 52.01 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 178.076 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -103.76 165.07 11.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.003 -177.141 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -99.0 -24.75 14.8 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.585 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.4 -0.81 . . . . 0.0 109.909 178.733 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.0 mtt . . . . . 0 N--CA 1.48 1.06 0 CA-C-O 120.798 0.333 . . . . 0.0 110.802 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 79.18 -56.63 4.37 Favored Glycine 0 CA--C 1.519 0.294 0 CA-C-N 116.095 -0.502 . . . . 0.0 113.546 176.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.7 t-80 -65.03 100.0 0.39 Allowed 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -174.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.7 t-80 44.4 73.69 0.15 Allowed 'General case' 0 N--CA 1.467 0.424 0 O-C-N 124.009 0.818 . . . . 0.0 112.432 174.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -152.15 148.94 28.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.128 177.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.0 m170 -89.21 86.58 6.89 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.395 177.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.9 t-80 -101.33 95.09 6.28 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 176.077 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 19.0 t60 -74.15 98.1 3.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.806 -177.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 m -86.22 73.36 10.23 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.302 0.572 . . . . 0.0 111.059 -174.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 53.4 t-80 -101.76 88.24 3.34 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 174.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -142.8 166.12 25.53 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.82 -174.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -85.69 24.94 1.14 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.341 -179.212 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.7 t -70.91 106.41 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.756 177.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.1 mmt-85 -136.2 117.88 15.0 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.7 -177.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.501 ' HA ' ' HA ' ' A' ' 32' ' ' ASP . 0.1 OUTLIER -74.96 137.46 41.62 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.405 -177.712 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.429 HG21 ' O ' ' A' ' 77' ' ' THR . 23.8 pt -98.49 156.82 3.67 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.876 0 CA-C-N 115.33 -0.85 . . . . 0.0 110.037 178.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . . 24.6 m170 -89.52 97.55 11.26 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.165 178.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.9 m -87.41 145.22 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.073 176.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.595 ' HB ' ' HG2' ' A' ' 81' ' ' GLU . 60.0 m -104.87 113.28 26.78 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.521 -175.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 51.4 t -92.81 116.8 34.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.078 0.466 . . . . 0.0 110.938 -177.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.6 mmtm -96.29 103.85 15.78 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.451 -0.795 . . . . 0.0 110.688 178.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -97.54 157.71 34.3 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 174.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 14.8 Cg_exo -70.7 45.16 0.54 Allowed 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 123.056 2.504 . . . . 0.0 111.864 174.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.5 t -165.79 -67.45 0.03 OUTLIER 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.804 -177.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -132.53 175.18 9.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.122 0.487 . . . . 0.0 110.791 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 36.8 tt0 -125.89 128.78 48.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.954 179.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 52.1 p90 -138.51 156.41 47.54 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 120.845 0.355 . . . . 0.0 110.79 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -105.21 141.0 37.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.59 -177.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.481 HG11 ' HB3' ' A' ' 43' ' ' LYS . 26.0 t -126.96 150.0 32.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.611 -179.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -92.44 112.01 23.8 Favored 'General case' 0 CA--C 1.517 -0.296 0 CA-C-O 120.9 0.381 . . . . 0.0 111.526 175.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.627 HG11 HD12 ' A' ' 40' ' ' LEU . 31.0 m -136.47 147.66 27.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 173.733 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.501 ' HA ' ' HA ' ' A' ' 15' ' ' LYS . 16.5 t70 -80.56 161.67 24.66 Favored 'General case' 0 C--N 1.317 -0.819 0 C-N-CA 120.627 -0.429 . . . . 0.0 110.283 -178.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.429 HH11 ' HD2' ' A' ' 33' ' ' ARG . 61.9 mtt180 -66.58 -25.47 66.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.018 0.437 . . . . 0.0 110.475 178.741 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.637 ' HA ' ' OD1' ' A' ' 70' ' ' ASN . 76.2 p -102.55 16.42 26.43 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.509 -0.769 . . . . 0.0 111.073 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.547 ' O ' ' HG ' ' A' ' 71' ' ' LEU . 7.3 tp10 -74.38 152.61 39.51 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.143 175.45 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.7 p -90.81 160.84 15.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.552 -0.295 . . . . 0.0 111.646 -178.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.43 HG12 ' HE3' ' A' ' 41' ' ' LYS . 59.3 t -66.26 -36.39 77.27 Favored 'Isoleucine or valine' 0 C--O 1.233 0.227 0 CA-C-O 121.072 0.463 . . . . 0.0 110.273 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.0 t -58.55 -39.81 81.28 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.148 177.58 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.621 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 22.7 m -79.81 -27.22 40.32 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.737 -176.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.627 HD12 HG11 ' A' ' 31' ' ' VAL . 23.9 tp -62.36 -49.25 76.31 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.931 176.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' HE3' HG12 ' A' ' 37' ' ' VAL . 92.2 mttt -59.41 -39.59 83.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.295 -0.866 . . . . 0.0 110.598 177.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.422 ' O ' HG13 ' A' ' 46' ' ' ILE . 20.3 t70 -57.8 -48.6 79.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.156 177.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.621 ' HG2' ' O ' ' A' ' 39' ' ' SER . 75.0 mmtt -56.1 -48.99 75.11 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.313 0.577 . . . . 0.0 110.519 -179.42 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 68.3 mt -64.45 -38.5 82.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.182 -177.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -64.75 -30.1 71.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 111.516 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 42' ' ' ASP . 84.1 mt -70.79 -30.99 44.26 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-O 121.143 0.497 . . . . 0.0 110.346 178.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 12.5 t -78.02 -56.46 7.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.354 0.597 . . . . 0.0 110.756 173.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -114.45 133.43 55.75 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.441 -0.8 . . . . 0.0 109.934 -171.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.413 HD22 ' N ' ' A' ' 49' ' ' ASN . 0.9 OUTLIER -75.4 9.22 2.25 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -171.874 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.454 HG21 HD22 ' A' ' 86' ' ' LEU . 14.5 m -65.42 123.66 84.99 Favored Pre-proline 0 N--CA 1.446 -0.636 0 N-CA-C 109.97 -0.382 . . . . 0.0 109.97 175.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.456 ' HG2' ' HD2' ' A' ' 54' ' ' ARG . 52.2 Cg_exo -53.37 136.62 63.55 Favored 'Trans proline' 0 N--CA 1.461 -0.423 0 C-N-CA 122.858 2.372 . . . . 0.0 112.128 175.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 41' ' ' LYS . 64.4 mt -60.17 -35.53 62.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.736 -177.716 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -67.89 -29.64 68.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.776 0.322 . . . . 0.0 111.509 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' HD2' ' HG2' ' A' ' 51' ' ' PRO . 43.6 mtt180 -80.98 -40.35 24.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.451 -178.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.5 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 26.3 ptt? -90.91 117.43 29.5 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.341 0.591 . . . . 0.0 111.062 -176.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -101.45 132.92 46.81 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.688 -0.687 . . . . 0.0 109.958 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 31.6 mt -91.38 128.23 37.13 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.944 -175.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.506 ' CE1' ' HB2' ' A' ' 85' ' ' PHE . 74.9 m-85 -120.94 127.71 52.08 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.371 176.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CE1' ' HB3' ' A' ' 80' ' ' SER . 62.0 t80 -116.88 112.75 21.5 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.345 177.535 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 50.8 m 60.09 21.83 11.05 Favored 'General case' 0 CA--C 1.532 0.259 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.886 177.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.06 -12.96 55.92 Favored Glycine 0 N--CA 1.453 -0.19 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.237 -179.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 65.4 mt -91.35 125.77 44.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 178.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.437 ' HB3' ' CE2' ' A' ' 58' ' ' TYR . 12.6 pt-20 -81.52 134.38 35.51 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-O 121.126 0.488 . . . . 0.0 109.753 178.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 52.2 mt -82.98 70.29 9.95 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-O 121.351 0.596 . . . . 0.0 109.844 -178.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -72.51 -35.53 68.14 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.256 -0.884 . . . . 0.0 111.357 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 61.5 m-20 -80.92 100.21 8.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.329 0.585 . . . . 0.0 110.371 179.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -70.02 -31.03 68.48 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.531 -177.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -81.83 -9.21 59.68 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.103 -0.953 . . . . 0.0 111.738 -176.271 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 13.5 mtt180 -80.93 168.85 18.26 Favored 'General case' 0 CA--C 1.515 -0.379 0 CA-C-O 121.401 0.62 . . . . 0.0 112.1 -175.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.637 ' OD1' ' HA ' ' A' ' 34' ' ' THR . 2.0 t-20 -94.25 158.42 15.59 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.666 -1.152 . . . . 0.0 110.208 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.547 ' HG ' ' O ' ' A' ' 35' ' ' GLU . 80.6 mt -72.03 -44.76 62.86 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.743 -177.638 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.48 ' HA ' ' O ' ' A' ' 76' ' ' ILE . 9.2 p30 -60.35 -27.77 67.64 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.772 0.32 . . . . 0.0 110.971 -178.141 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -58.34 -32.91 68.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.54 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.436 ' OH ' ' HB2' ' A' ' 66' ' ' ASP . 95.3 m-85 -85.06 -9.15 58.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.89 0.376 . . . . 0.0 111.156 -178.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 109.6 -0.86 30.66 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.56 -0.828 . . . . 0.0 112.218 -177.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.48 ' O ' ' HA ' ' A' ' 72' ' ' ASN . 72.0 mt -67.42 130.79 33.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 109.9 -0.408 . . . . 0.0 109.9 177.392 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.429 ' O ' HG21 ' A' ' 16' ' ' ILE . 3.1 t -147.41 -36.65 0.22 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.817 -174.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -178.14 135.91 0.16 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.62 -0.264 . . . . 0.0 110.385 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 58.43 20.2 7.2 Favored 'General case' 0 N--CA 1.468 0.458 0 O-C-N 123.718 0.637 . . . . 0.0 111.4 177.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.511 ' HB3' ' CE1' ' A' ' 59' ' ' TYR . 2.8 m -65.13 131.09 45.62 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.946 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.595 ' HG2' ' HB ' ' A' ' 19' ' ' THR . 25.3 mt-10 -95.25 125.34 39.82 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.34 0.59 . . . . 0.0 110.79 178.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 40.0 mm -107.07 114.57 46.44 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.847 0 CA-C-N 115.153 -0.931 . . . . 0.0 109.687 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 25.3 t -88.96 116.9 31.31 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -179.319 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.5 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 56.0 t -96.25 105.83 17.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-O 121.229 0.538 . . . . 0.0 110.973 -176.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.506 ' HB2' ' CE1' ' A' ' 58' ' ' TYR . 28.2 m-85 -94.74 121.66 36.55 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.664 -0.698 . . . . 0.0 109.931 176.025 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.454 HD22 HG21 ' A' ' 50' ' ' THR . 28.5 mt -83.63 119.14 24.39 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.795 -178.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -97.95 117.2 31.76 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.964 -175.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.1 m -78.57 61.22 2.86 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.024 176.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 32.3 pt -65.84 -36.34 77.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.325 177.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 35.4 m-80 -145.4 104.21 3.9 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.789 -1.096 . . . . 0.0 109.207 174.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -29.27 70.48 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 175.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.44 168.87 5.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.861 173.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.557 ' HG2' ' OD1' ' A' ' 94' ' ' ASP . 41.7 tttm -132.36 -77.74 0.5 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.008 -0.542 . . . . 0.0 109.699 -177.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.557 ' OD1' ' HG2' ' A' ' 93' ' ' LYS . 7.1 p-10 . . . . . 0 C--O 1.247 0.965 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 175.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.681 0.277 . . . . 0.0 110.65 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 60.85 -105.33 0.82 Allowed Glycine 0 C--N 1.331 0.285 0 CA-C-N 116.016 -0.538 . . . . 0.0 114.077 171.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -103.1 6.26 38.45 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -174.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.2 t-80 -80.27 83.05 6.19 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 47.6 m-70 -136.35 177.31 7.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.978 -179.077 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 m-70 -95.24 13.15 26.47 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.886 0.374 . . . . 0.0 111.283 178.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -98.29 -7.87 28.26 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.513 -0.312 . . . . 0.0 110.803 176.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 38.7 t-80 -129.59 111.62 12.9 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.41 -179.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.1 m -75.01 145.9 42.08 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 172.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.9 m-70 -80.55 -78.05 0.18 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 120.914 0.387 . . . . 0.0 110.109 -175.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -171.78 -178.53 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.933 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -82.73 23.63 0.79 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.168 0.509 . . . . 0.0 110.739 177.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.2 p -72.69 111.6 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.714 0.768 . . . . 0.0 110.492 179.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 56.9 mtt180 -132.34 154.43 49.75 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-N 115.291 -0.868 . . . . 0.0 109.627 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -85.16 152.18 23.56 Favored 'General case' 0 C--N 1.309 -1.162 0 CA-C-N 115.882 -0.599 . . . . 0.0 109.423 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 41.5 pt -101.73 142.32 16.49 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.206 0 CA-C-O 121.31 0.576 . . . . 0.0 110.11 -179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.658 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 69.8 m80 -97.44 98.74 10.2 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.226 -177.802 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 m -92.06 142.78 12.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.614 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.1 m -100.1 111.67 23.96 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.146 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 60.8 t -89.06 115.41 28.79 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-O 121.097 0.475 . . . . 0.0 110.752 -178.139 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 mmtm -90.02 102.55 15.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.841 175.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.593 ' CD1' ' HD2' ' A' ' 23' ' ' PRO . 0.2 OUTLIER -114.15 147.79 38.63 Favored Pre-proline 0 C--N 1.322 -0.621 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.685 178.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.593 ' HD2' ' CD1' ' A' ' 22' ' ' PHE . 40.3 Cg_endo -68.55 -13.88 38.35 Favored 'Trans proline' 0 CA--C 1.529 0.24 0 C-N-CA 122.3 2.0 . . . . 0.0 112.039 175.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 7.1 p -96.39 -30.85 13.16 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.429 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -170.18 174.82 5.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.869 0.366 . . . . 0.0 110.423 -176.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -129.1 129.55 45.35 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 173.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.426 ' HZ ' HG23 ' A' ' 44' ' ' ILE . 39.6 p90 -149.39 156.34 41.89 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.314 0.578 . . . . 0.0 111.383 -177.362 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.0 m -104.65 136.96 43.22 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.263 177.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 t -119.61 135.79 58.83 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.658 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 47.1 mt-10 -90.31 108.64 19.89 Favored 'General case' 0 CA--C 1.505 -0.772 0 CA-C-O 121.409 0.623 . . . . 0.0 109.968 174.245 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.472 HG11 HD12 ' A' ' 40' ' ' LEU . 16.6 m -127.21 155.9 38.49 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.391 0 CA-C-N 115.182 -0.917 . . . . 0.0 109.768 177.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.536 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 15.4 t0 -66.8 147.04 53.77 Favored 'General case' 0 C--N 1.313 -0.995 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.733 175.378 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 35.1 ptt180 -75.95 -25.1 55.59 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.098 0.475 . . . . 0.0 110.7 -179.705 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -93.4 14.29 18.97 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.441 0.639 . . . . 0.0 110.635 175.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.536 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 22.6 tt0 -72.49 147.06 46.4 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.921 177.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.562 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 16.4 p -88.89 160.88 16.98 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.6 0.238 . . . . 0.0 111.122 -178.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.427 HG12 ' HE3' ' A' ' 41' ' ' LYS . 61.7 t -58.96 -34.36 52.6 Favored 'Isoleucine or valine' 0 C--O 1.235 0.333 0 CA-C-O 121.059 0.457 . . . . 0.0 110.694 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.549 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 25.3 p -54.72 -47.77 73.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.443 176.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.53 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 23.0 m -75.78 -28.94 58.59 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.418 -175.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.703 HD13 HD11 ' A' ' 71' ' ' LEU . 13.1 tp -62.01 -46.26 89.98 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.905 177.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' HE3' HG12 ' A' ' 37' ' ' VAL . 95.9 mttt -59.45 -41.76 90.43 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.393 176.276 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.418 ' O ' HG13 ' A' ' 46' ' ' ILE . 30.6 t70 -59.43 -45.89 90.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.785 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HG2' ' O ' ' A' ' 39' ' ' SER . 35.0 mmtp -56.37 -51.5 68.09 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.866 179.279 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.426 HG23 ' HZ ' ' A' ' 27' ' ' PHE . 66.0 mt -61.15 -41.5 89.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.184 -176.589 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -64.71 -29.15 70.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.568 -179.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.418 HG13 ' O ' ' A' ' 42' ' ' ASP . 91.3 mt -73.57 -35.29 44.37 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.004 0.43 . . . . 0.0 110.446 178.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 86.7 t -80.39 -53.64 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.979 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -92.09 162.57 14.29 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.014 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -84.23 -22.8 30.72 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.976 0.417 . . . . 0.0 110.933 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 85.3 m -61.85 131.5 93.08 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.661 -177.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.764 ' HG2' ' HD3' ' A' ' 54' ' ' ARG . 56.6 Cg_endo -73.71 153.14 48.49 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.749 2.299 . . . . 0.0 112.405 178.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 51.8 mt -66.58 -24.07 32.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.524 0.678 . . . . 0.0 110.308 -178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -68.28 -19.1 64.68 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.055 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.764 ' HD3' ' HG2' ' A' ' 51' ' ' PRO . 8.9 mpt_? -106.76 -26.97 11.06 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.852 -0.339 . . . . 0.0 111.912 -178.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.509 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 27.0 ptt? -96.93 134.89 39.68 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.219 0.533 . . . . 0.0 112.164 -173.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -115.73 141.93 47.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.067 178.035 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 49.4 mt -99.5 128.38 45.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.902 0.382 . . . . 0.0 111.363 -174.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.412 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 94.6 m-85 -127.76 126.98 42.8 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.224 176.288 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -112.56 105.67 13.93 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.724 -179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 67.0 m 61.65 27.05 16.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.419 176.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 101.18 -25.31 28.72 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 121.042 -0.599 . . . . 0.0 111.835 -178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 74.5 mt -80.73 120.01 31.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 120.908 0.385 . . . . 0.0 110.349 -179.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -75.21 140.32 43.2 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.071 176.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 59.1 mt -88.05 88.19 7.57 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.936 -0.764 . . . . 0.0 108.936 178.198 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -80.18 -28.39 38.75 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.781 -172.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.429 ' HB2' ' HD3' ' A' ' 69' ' ' ARG . 26.5 m-20 -100.56 108.13 19.98 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.323 0.582 . . . . 0.0 110.617 -179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.549 ' OD2' ' HB3' ' A' ' 38' ' ' SER . 22.0 t70 -66.47 -30.93 71.38 Favored 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.156 -0.929 . . . . 0.0 110.751 -178.442 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 43.4 p90 -84.31 -8.36 59.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.48 -0.782 . . . . 0.0 112.385 -173.156 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.429 ' HD3' ' HB2' ' A' ' 66' ' ' ASP . 74.8 mtp180 -83.07 156.33 23.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.257 0.551 . . . . 0.0 110.816 -178.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.562 ' HA ' ' HA ' ' A' ' 36' ' ' THR . 8.2 m120 -86.52 154.16 21.3 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.937 -179.057 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.703 HD11 HD13 ' A' ' 40' ' ' LEU . 41.5 mt -59.05 -35.19 72.9 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.729 0.776 . . . . 0.0 109.101 173.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -57.27 -34.19 68.38 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.236 -1.347 . . . . 0.0 111.726 175.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.538 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 23.4 mm-40 -65.28 -47.38 76.85 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.1 0.476 . . . . 0.0 110.081 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -71.81 -23.02 61.49 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.528 -179.292 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 93.33 33.16 7.35 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 120.852 -0.69 . . . . 0.0 111.82 179.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.521 HD12 HD22 ' A' ' 71' ' ' LEU . 52.4 mt -77.94 119.69 27.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.087 0.47 . . . . 0.0 110.612 -178.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.5 t -104.35 -174.37 2.52 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.227 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.503 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 39.1 tt0 -76.84 148.83 36.3 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.453 0.168 . . . . 0.0 110.695 -179.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.503 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 37.4 m-85 69.63 20.65 6.93 Favored 'General case' 0 N--CA 1.466 0.363 0 O-C-N 123.7 0.625 . . . . 0.0 111.066 -179.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 p -74.19 132.95 42.67 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.95 174.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -92.36 106.24 18.27 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.165 0.507 . . . . 0.0 110.081 -179.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.8 mm -89.94 115.94 30.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.549 -0.751 . . . . 0.0 109.518 179.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 33.4 t -92.79 117.29 35.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 115.945 -0.57 . . . . 0.0 109.692 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.509 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 45.0 t -101.27 110.02 27.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.515 -178.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.696 ' HB3' ' HE3' ' A' ' 87' ' ' LYS . 44.5 m-85 -94.91 121.14 36.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.22 178.168 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.47 HD21 ' CE1' ' A' ' 22' ' ' PHE . 26.6 mt -84.58 115.0 22.38 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.419 -178.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.696 ' HE3' ' HB3' ' A' ' 85' ' ' PHE . 29.8 mmtp -113.72 92.07 3.86 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.0 m -71.93 97.41 1.84 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.604 -174.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 16.3 pt -105.38 118.82 53.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.94 174.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -85.69 117.5 24.61 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.345 0.593 . . . . 0.0 110.585 -178.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 12.8 tpp180 -137.6 87.95 2.3 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.789 178.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . 62.3 93.86 0.05 OUTLIER 'General case' 0 CA--C 1.53 0.188 0 O-C-N 123.908 0.755 . . . . 0.0 111.187 179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 21.4 ttpp -107.88 148.15 30.0 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -176.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 34.9 t70 . . . . . 0 C--O 1.248 0.977 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 169.982 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.0 mmm . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 120.756 0.313 . . . . 0.0 110.582 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.29 162.39 11.39 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.187 -1.006 . . . . 0.0 112.371 177.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 64.2 m-70 -118.96 128.99 54.92 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -86.88 67.29 9.77 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.665 0.745 . . . . 0.0 110.834 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.0 p80 -80.52 -28.35 37.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.342 -0.845 . . . . 0.0 109.403 177.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -87.46 119.51 27.82 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.429 -0.952 . . . . 0.0 108.429 174.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 63.23 67.37 0.67 Allowed 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.624 -0.88 . . . . 0.0 108.624 -171.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 28.1 p80 -91.23 172.8 8.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.02 -0.991 . . . . 0.0 111.806 -170.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.5 t -157.71 152.59 25.43 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 115.032 -0.985 . . . . 0.0 109.026 178.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -99.72 -7.4 25.63 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.517 0.675 . . . . 0.0 109.286 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -88.23 141.36 28.62 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.093 -179.753 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -79.13 151.98 31.02 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.133 178.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 33.6 m -76.88 168.6 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.294 179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.6 mmm180 -92.56 103.17 15.6 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 121.154 0.502 . . . . 0.0 110.857 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.453 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 3.4 mppt? -82.11 120.19 24.99 Favored 'General case' 0 C--N 1.315 -0.909 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 173.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.642 HG21 ' O ' ' A' ' 77' ' ' THR . 27.9 pt -92.1 145.78 7.12 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.409 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.107 -170.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.632 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 43.5 m80 -88.93 95.39 10.29 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.334 -0.848 . . . . 0.0 109.737 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -85.03 141.24 14.86 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.281 179.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -95.3 109.7 21.8 Favored 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 109.647 -0.501 . . . . 0.0 109.647 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 59.1 t -88.82 118.5 34.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-O 120.955 0.407 . . . . 0.0 110.48 -176.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.609 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 35.1 mmtp -96.07 96.95 9.2 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.659 -178.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -96.48 152.94 38.96 Favored Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 116.108 -0.496 . . . . 0.0 109.863 174.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -60.26 -23.06 73.01 Favored 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.462 2.108 . . . . 0.0 112.006 177.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 5.4 m -84.52 -61.04 1.89 Allowed 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.05 179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.04 173.75 13.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.781 0.324 . . . . 0.0 110.669 -176.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.538 ' OE1' ' HE2' ' A' ' 21' ' ' LYS . 14.8 tt0 -111.62 133.18 54.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.055 178.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.4 p90 -146.09 166.24 26.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.656 0.265 . . . . 0.0 110.364 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.461 HG21 ' HB3' ' A' ' 17' ' ' HIS . 3.2 m -111.18 145.2 39.07 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.548 -178.804 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 36.2 t -129.57 141.5 46.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 116.194 -0.457 . . . . 0.0 109.832 176.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.632 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 56.6 mt-10 -90.47 109.77 20.89 Favored 'General case' 0 CA--C 1.507 -0.692 0 CA-C-O 121.068 0.461 . . . . 0.0 110.016 176.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.422 HG12 ' HD3' ' A' ' 43' ' ' LYS . 25.2 m -128.69 147.09 33.18 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.205 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.83 179.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.404 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 37.2 t0 -71.9 147.76 46.74 Favored 'General case' 0 C--N 1.316 -0.875 0 N-CA-C 109.563 -0.532 . . . . 0.0 109.563 178.283 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -72.38 -21.41 61.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.29 0.567 . . . . 0.0 110.533 179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -95.33 14.2 23.2 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.822 175.193 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.544 ' HG3' ' HB3' ' A' ' 39' ' ' SER . 5.6 tp10 -69.43 151.3 46.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.386 175.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.4 p -90.15 161.02 15.96 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.433 -0.21 . . . . 0.0 110.433 177.172 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . . . . . . . . . 48.1 t -64.31 -33.93 65.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.191 0.519 . . . . 0.0 110.087 178.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.447 ' HB3' ' OD2' ' A' ' 67' ' ' ASP . 14.1 p -62.0 -38.93 90.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.812 176.143 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.544 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 17.9 t -79.69 -25.64 41.16 Favored 'General case' 0 N--CA 1.448 -0.562 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 -176.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.833 HD23 HD13 ' A' ' 57' ' ' LEU . 19.3 tp -66.77 -52.41 44.47 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.681 -0.691 . . . . 0.0 109.57 176.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.53 ' HB3' HG23 ' A' ' 52' ' ' ILE . 76.6 mttt -61.77 -36.49 81.2 Favored 'General case' 0 CA--C 1.523 -0.09 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.444 176.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.457 ' O ' HG13 ' A' ' 46' ' ' ILE . 25.9 t70 -58.38 -47.67 83.1 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.743 178.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HD3' HG12 ' A' ' 31' ' ' VAL . 51.8 mttp -64.09 -46.21 85.24 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.507 179.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 64.2 mt -59.57 -36.05 62.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.701 -0.227 . . . . 0.0 110.637 176.238 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -66.36 -30.7 71.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.588 0.233 . . . . 0.0 111.218 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 42' ' ' ASP . 83.2 mt -73.34 -47.59 45.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.046 0.45 . . . . 0.0 110.284 178.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 70.7 t -70.4 -52.06 32.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.43 -0.805 . . . . 0.0 111.291 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -91.31 -169.5 2.34 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.693 -0.685 . . . . 0.0 111.77 -173.153 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -122.1 19.7 10.74 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.584 0.707 . . . . 0.0 110.346 -176.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.516 HG21 ' HB3' ' A' ' 55' ' ' MET . 13.1 m -102.33 131.21 22.78 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.111 -177.627 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.411 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 35.3 Cg_exo -57.12 139.94 91.35 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 123.01 2.474 . . . . 0.0 111.582 171.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.53 HG23 ' HB3' ' A' ' 41' ' ' LYS . 33.5 mt -57.23 -36.56 52.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 115.842 -0.617 . . . . 0.0 112.347 -174.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -85.68 -10.2 56.06 Favored 'General case' 0 C--N 1.321 -0.63 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 -175.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.411 ' HD3' ' HB2' ' A' ' 51' ' ' PRO . 3.6 mpt_? -92.86 -26.1 17.79 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.217 177.351 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.516 ' HB3' HG21 ' A' ' 50' ' ' THR . 23.5 ptt? -98.71 124.89 43.84 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.131 0.491 . . . . 0.0 110.79 -179.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.477 ' HG3' ' HE3' ' A' ' 87' ' ' LYS . 15.2 mm100 -107.7 145.85 32.88 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.606 -178.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.833 HD13 HD23 ' A' ' 40' ' ' LEU . 55.0 mt -107.98 129.07 55.14 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.513 -175.581 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.466 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 87.3 m-85 -128.84 137.62 51.59 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.053 0.454 . . . . 0.0 110.674 178.214 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 66.8 t80 -126.13 107.72 10.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.223 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 62.3 m 57.79 29.78 17.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.53 178.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.01 -14.38 62.71 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.901 -0.666 . . . . 0.0 112.451 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 64.5 mt -83.71 127.6 39.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 N-CA-C 110.126 -0.324 . . . . 0.0 110.126 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -82.28 120.62 25.62 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.543 179.66 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 35.0 mt -83.81 81.62 8.68 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 178.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -97.0 -29.89 13.39 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.122 -174.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -73.01 107.37 5.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 0.0 110.815 -177.038 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.447 ' OD2' ' HB3' ' A' ' 38' ' ' SER . 17.8 t70 -62.33 -40.69 97.18 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.231 -178.413 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 42.3 p90 -77.12 -12.66 59.97 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.819 -1.082 . . . . 0.0 112.24 -172.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 22.6 mtt180 -80.16 156.24 27.06 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 112.293 0.479 . . . . 0.0 112.293 -173.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.527 ' HB2' ' HG3' ' A' ' 73' ' ' GLU . 12.1 m120 -97.25 151.77 19.53 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.273 -0.876 . . . . 0.0 109.461 177.03 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.638 HD11 HD13 ' A' ' 40' ' ' LEU . 78.6 mt -57.83 -47.21 83.31 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -174.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.2 p30 -59.63 -27.47 66.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.59 -176.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.527 ' HG3' ' HB2' ' A' ' 70' ' ' ASN . 30.2 mt-10 -65.22 -21.63 66.77 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.691 0.281 . . . . 0.0 111.196 -178.206 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -86.06 -13.38 47.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.976 0.417 . . . . 0.0 110.353 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 107.78 8.4 30.18 Favored Glycine 0 N--CA 1.443 -0.843 0 C-N-CA 120.718 -0.753 . . . . 0.0 111.95 -176.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 61.6 mt -74.2 109.69 7.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 121.057 0.456 . . . . 0.0 110.508 -178.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.642 ' O ' HG21 ' A' ' 16' ' ' ILE . 3.3 t -99.58 -59.8 1.65 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.711 -177.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.495 ' H ' HG23 ' A' ' 77' ' ' THR . 38.7 tt0 -176.81 154.02 1.12 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 -176.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.456 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 52.3 m-85 57.98 22.24 8.62 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.217 0.532 . . . . 0.0 111.288 -179.352 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.3 p -72.22 130.03 39.84 Favored 'General case' 0 N--CA 1.445 -0.686 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.261 179.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -91.89 94.64 9.4 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.912 -178.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 35.1 mm -80.96 115.81 24.18 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.608 -176.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.609 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 12.3 t -87.11 120.71 36.87 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.788 -0.642 . . . . 0.0 109.948 -177.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 61.1 t -100.74 105.81 18.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-O 121.341 0.591 . . . . 0.0 110.556 -178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.466 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 60.9 m-85 -92.06 123.57 35.51 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.856 176.386 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.804 ' HB2' HD13 ' A' ' 89' ' ' ILE . 44.3 mt -97.69 123.17 41.51 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.814 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.477 ' HE3' ' HG3' ' A' ' 56' ' ' GLN . 3.7 mptp? -93.49 128.37 39.56 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.847 -171.502 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 49.7 m 58.68 43.46 18.77 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.698 174.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.804 HD13 ' HB2' ' A' ' 86' ' ' LEU . 16.8 pt -89.19 128.04 41.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.349 0.595 . . . . 0.0 111.859 -178.452 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -135.43 162.11 33.56 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 175.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 65.5 mtt180 -64.41 136.47 57.13 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.167 0.508 . . . . 0.0 111.021 -178.571 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -119.84 46.95 1.83 Allowed 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.034 175.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 28.5 tttm -66.08 -47.28 74.77 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.008 -0.996 . . . . 0.0 111.393 -174.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 . . . . . 0 C--O 1.246 0.872 0 CA-C-O 118.123 -0.942 . . . . 0.0 109.966 -177.811 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 mmt . . . . . 0 N--CA 1.479 0.994 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.03 96.93 0.16 Allowed Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.136 -179.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -64.26 110.3 2.17 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 177.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 77.7 m-70 -67.47 122.04 17.11 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.41 -177.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -84.45 -30.22 25.45 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.116 -177.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 61.26 20.34 10.94 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.57 179.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 8.6 m80 -88.27 117.7 27.36 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.677 -178.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -81.16 147.95 29.8 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.613 -0.722 . . . . 0.0 109.8 179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m 62.07 95.33 0.04 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 O-C-N 123.656 0.597 . . . . 0.0 111.058 179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -154.01 -55.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.124 0.488 . . . . 0.0 110.829 -175.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -159.62 -179.68 8.1 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.27 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -105.25 148.62 26.78 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.07 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.3 m -71.53 167.17 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.21 0.528 . . . . 0.0 111.906 -176.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 12.1 mtm180 -99.05 137.98 36.8 Favored 'General case' 0 N--CA 1.448 -0.555 0 N-CA-C 108.919 -0.771 . . . . 0.0 108.919 178.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.46 128.06 35.25 Favored 'General case' 0 C--N 1.315 -0.904 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 171.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.602 ' HA ' ' HG3' ' A' ' 78' ' ' GLU . 29.0 pt -83.51 143.87 11.09 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 CA-C-O 121.692 0.758 . . . . 0.0 111.595 -169.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.464 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 52.4 m80 -88.13 98.24 11.44 Favored 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 114.772 -1.104 . . . . 0.0 109.789 -179.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 m -92.81 131.57 39.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-O 121.07 0.462 . . . . 0.0 110.427 179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.8 m -85.55 110.33 19.15 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.857 177.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 61.4 t -91.28 107.95 19.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-O 121.108 0.48 . . . . 0.0 109.899 -179.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.529 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 50.4 mtpt -99.05 104.42 16.44 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.681 -0.69 . . . . 0.0 111.354 -177.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -95.31 156.48 37.63 Favored Pre-proline 0 C--N 1.318 -0.792 0 CA-C-N 116.027 -0.533 . . . . 0.0 109.607 173.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -64.92 -18.32 61.93 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.372 2.048 . . . . 0.0 111.435 173.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 16.1 m -104.17 -21.92 13.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.743 -0.662 . . . . 0.0 112.277 -175.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -168.44 172.67 8.13 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-O 120.623 0.249 . . . . 0.0 110.986 -177.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 47.7 tt0 -137.83 131.19 30.74 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.222 176.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 39.0 p90 -150.91 163.81 37.81 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.179 -0.304 . . . . 0.0 110.179 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.3 m -108.36 142.91 37.98 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.681 0.277 . . . . 0.0 110.481 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 38.4 t -123.67 137.55 56.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.771 -0.455 . . . . 0.0 109.771 177.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.464 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 53.6 mt-10 -91.46 102.98 15.66 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-O 121.56 0.695 . . . . 0.0 110.094 176.043 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.44 HG11 HD12 ' A' ' 40' ' ' LEU . 35.3 m -119.49 145.7 25.28 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.208 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.841 179.715 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -59.66 144.94 46.51 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.458 ' HB3' HG23 ' A' ' 16' ' ' ILE . 17.8 ptp180 -69.76 -21.69 63.42 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.835 0.35 . . . . 0.0 110.75 -177.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.588 ' HA ' ' OD1' ' A' ' 72' ' ' ASN . 45.5 p -96.37 14.9 22.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.624 177.204 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -70.6 149.86 46.64 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.185 178.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 2.0 p -88.21 152.1 22.21 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.566 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 87.6 t -56.04 -37.7 49.92 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 CA-C-O 121.014 0.435 . . . . 0.0 110.605 177.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.564 ' HB3' ' HB3' ' A' ' 67' ' ' ASP . 12.3 p -59.21 -44.88 92.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.945 177.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.522 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 26.9 m -79.18 -24.68 43.04 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.172 -176.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.697 HD23 HD13 ' A' ' 57' ' ' LEU . 17.0 tp -62.05 -43.12 99.52 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.251 173.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.456 ' HD3' HG23 ' A' ' 52' ' ' ILE . 99.3 mttt -65.89 -34.2 77.58 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.595 176.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.459 ' O ' HG13 ' A' ' 46' ' ' ILE . 12.3 m-20 -61.78 -42.9 99.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.468 176.168 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.522 ' HG2' ' O ' ' A' ' 39' ' ' SER . 74.3 mmtt -56.04 -50.55 70.63 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.306 0.574 . . . . 0.0 110.143 179.194 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 66.7 mt -62.71 -40.35 88.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.135 -178.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 85.4 t60 -64.23 -30.77 71.82 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.754 0.312 . . . . 0.0 111.096 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 42' ' ' ASP . 99.5 mt -74.75 -38.15 44.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.974 179.143 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 58.7 t -82.93 -54.7 8.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.225 -178.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -98.72 153.46 18.71 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.114 0.483 . . . . 0.0 111.445 -176.019 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -87.13 78.41 8.89 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.508 0.671 . . . . 0.0 109.475 178.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 56.9 m -147.85 123.38 5.24 Favored Pre-proline 0 C--N 1.318 -0.765 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.721 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_exo -61.01 136.22 64.06 Favored 'Trans proline' 0 C--O 1.236 0.381 0 C-N-CA 122.736 2.291 . . . . 0.0 111.848 173.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.456 HG23 ' HD3' ' A' ' 41' ' ' LYS . 70.1 mt -63.59 -26.77 41.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.108 -177.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.2 mttm -72.6 -10.75 60.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.681 -179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -100.52 -42.38 6.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.003 0.43 . . . . 0.0 111.244 -179.73 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.0 ptt? -89.56 131.59 35.5 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.32 0.581 . . . . 0.0 112.15 -172.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.449 ' CB ' ' HE3' ' A' ' 87' ' ' LYS . 4.6 tp-100 -111.76 149.33 31.83 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.55 175.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.697 HD13 HD23 ' A' ' 40' ' ' LEU . 78.0 mt -102.24 134.69 45.1 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.737 0.303 . . . . 0.0 111.088 -176.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.46 ' O ' ' HA ' ' A' ' 82' ' ' ILE . 41.3 m-85 -124.02 121.49 35.37 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.274 176.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -93.05 103.14 15.47 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 175.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 24.5 m 66.77 -74.22 0.07 Allowed 'General case' 0 CA--C 1.532 0.255 0 O-C-N 123.89 0.744 . . . . 0.0 110.865 -176.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -146.64 10.63 1.46 Allowed Glycine 0 N--CA 1.448 -0.557 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 175.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 37.4 mt -105.25 122.89 59.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.171 -0.514 . . . . 0.0 110.199 -176.414 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 74.9 tt0 -79.69 121.14 24.95 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 120.997 0.427 . . . . 0.0 110.339 -178.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 54.8 mt -83.59 80.25 9.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.048 -179.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -85.9 -17.68 34.83 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.989 -178.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.446 ' HB2' ' OH ' ' A' ' 74' ' ' TYR . 2.9 m-20 -91.87 100.17 12.9 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 178.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.566 ' HA ' ' HB ' ' A' ' 37' ' ' VAL . 9.9 m-20 -71.5 -33.03 68.89 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.177 -175.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 4.1 p90 -80.49 15.97 1.49 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.202 -0.453 . . . . 0.0 112.013 -177.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.468 ' O ' HG23 ' A' ' 37' ' ' VAL . 14.3 mmt180 -102.55 136.09 43.01 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.957 0.408 . . . . 0.0 111.502 -178.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.537 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 5.3 m-20 -71.67 146.73 48.08 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.29 175.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.692 HD21 HD22 ' A' ' 40' ' ' LEU . 68.8 mt -61.58 -42.45 98.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.01 0.434 . . . . 0.0 110.428 177.607 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.588 ' OD1' ' HA ' ' A' ' 34' ' ' THR . 4.2 p-10 -61.08 -29.01 69.49 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.78 -0.645 . . . . 0.0 111.423 179.641 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.537 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 54.5 mm-40 -66.44 -37.42 85.14 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.55 0.214 . . . . 0.0 111.155 -179.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . 0.447 ' HB2' HG13 ' A' ' 76' ' ' ILE . 82.8 m-85 -70.41 -23.39 62.73 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.006 0.431 . . . . 0.0 110.453 177.253 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 104.01 12.83 28.74 Favored Glycine 0 N--CA 1.447 -0.617 0 N-CA-C 111.487 -0.645 . . . . 0.0 111.487 -175.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.447 HG13 ' HB2' ' A' ' 74' ' ' TYR . 65.9 mt -67.67 116.71 7.84 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.925 0.393 . . . . 0.0 110.691 -178.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 15.3 t -101.47 -172.82 2.22 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.002 178.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.602 ' HG3' ' HA ' ' A' ' 16' ' ' ILE . 22.1 tt0 -76.47 154.74 34.44 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.495 -177.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 64.29 31.29 13.04 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.583 179.721 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 4.8 p -85.55 172.23 11.11 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.393 -178.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -119.42 112.75 19.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.081 -177.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.46 ' HA ' ' O ' ' A' ' 58' ' ' TYR . 1.7 mp -106.86 108.51 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 174.376 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.529 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 21.4 t -87.84 122.07 39.07 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.58 -179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 57.4 t -95.52 103.98 15.31 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.925 0 CA-C-O 121.032 0.444 . . . . 0.0 110.821 -176.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.441 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 37.7 m-85 -95.29 121.91 37.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.084 176.213 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.666 ' HB2' HD13 ' A' ' 89' ' ' ILE . 22.1 mt -87.51 126.67 35.05 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.449 ' HE3' ' CB ' ' A' ' 56' ' ' GLN . 38.2 mttt -112.26 145.03 40.68 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.844 -173.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.3 m 65.94 28.54 10.57 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.103 179.276 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.666 HD13 ' HB2' ' A' ' 86' ' ' LEU . 28.0 pt -101.39 123.04 54.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.118 0.485 . . . . 0.0 111.142 -178.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -106.96 109.13 20.94 Favored 'General case' 0 C--N 1.318 -0.803 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 173.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.9 tpt180 -74.76 88.55 2.26 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 107.996 -1.113 . . . . 0.0 107.996 175.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -76.04 132.32 40.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.43 -170.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.4 ' HB2' ' HE3' ' A' ' 93' ' ' LYS . 0.0 OUTLIER -103.47 172.41 6.82 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 172.331 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 14.0 m-20 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.623 -0.703 . . . . 0.0 109.303 179.049 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.6 ttm . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 109.989 -0.375 . . . . 0.0 109.989 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -137.21 153.06 21.7 Favored Glycine 0 N--CA 1.446 -0.641 0 C-N-CA 120.497 -0.859 . . . . 0.0 112.617 -178.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -149.37 140.74 23.24 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 176.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.1 p-80 -60.79 123.57 17.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.2 0.524 . . . . 0.0 111.54 -173.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.9 t60 -151.34 127.15 10.27 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.185 -179.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -131.18 142.0 50.14 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.67 -0.493 . . . . 0.0 109.67 173.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -53.72 126.03 20.51 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-O 121.352 0.596 . . . . 0.0 111.883 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -87.69 75.09 9.05 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.554 0.692 . . . . 0.0 109.888 178.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -164.59 166.03 20.59 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.883 -1.053 . . . . 0.0 108.275 -179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -128.54 123.56 33.77 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.99 0.424 . . . . 0.0 111.105 -177.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -148.14 149.95 32.93 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.571 -0.74 . . . . 0.0 109.446 174.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.22 103.54 1.6 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.967 0.413 . . . . 0.0 109.976 178.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 5.9 p -102.79 128.57 55.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 121.363 0.601 . . . . 0.0 111.511 -174.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.8 mtt180 -96.53 107.38 19.79 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.692 176.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.404 ' HD3' ' N ' ' A' ' 15' ' ' LYS . 3.3 mppt? -74.7 139.18 43.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.667 -178.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.555 HG21 ' O ' ' A' ' 77' ' ' THR . 15.7 pt -91.84 150.91 3.66 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.712 0 CA-C-O 121.252 0.548 . . . . 0.0 111.325 -173.729 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.598 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 46.4 m80 -91.73 106.29 18.36 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.772 178.064 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 34.3 m -100.07 140.49 19.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.407 179.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.6 m -93.64 109.94 21.56 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 62.9 t -94.44 113.86 29.86 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.651 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.02 -178.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.512 ' HB3' ' NZ ' ' A' ' 21' ' ' LYS . 7.9 mtpm? -101.5 113.62 26.9 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.654 -178.81 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -99.18 155.1 36.92 Favored Pre-proline 0 C--N 1.318 -0.774 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.359 170.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_exo -59.59 -11.27 13.65 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.676 2.251 . . . . 0.0 112.95 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.9 t -123.14 -13.1 7.81 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -176.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -159.52 169.81 23.04 Favored 'General case' 0 N--CA 1.467 0.385 0 O-C-N 122.013 -0.429 . . . . 0.0 111.278 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.5 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 24.4 tt0 -144.27 127.02 16.19 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.302 -0.408 . . . . 0.0 109.953 177.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -147.32 160.0 43.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.708 0.29 . . . . 0.0 110.612 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.5 m -107.74 141.94 38.52 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.426 -179.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.7 t -128.22 147.32 32.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.151 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.598 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 49.0 mt-10 -95.43 109.74 21.88 Favored 'General case' 0 CA--C 1.51 -0.58 0 CA-C-O 121.235 0.54 . . . . 0.0 110.377 175.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.416 HG11 HD12 ' A' ' 40' ' ' LEU . 18.8 m -126.75 153.0 35.17 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.12 0 CA-C-N 115.35 -0.841 . . . . 0.0 110.245 179.603 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -66.25 148.61 51.59 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.83 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 33' ' ' ARG . 13.6 ptm180 -75.43 -27.32 58.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.407 0.622 . . . . 0.0 110.331 -179.347 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.97 14.19 20.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.557 176.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.462 ' HG3' ' HB3' ' A' ' 39' ' ' SER . 6.1 tp10 -63.6 143.65 57.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.328 178.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.425 ' HA ' ' HA ' ' A' ' 70' ' ' ASN . 13.2 p -79.36 152.98 30.11 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.327 175.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.557 HG12 ' HE3' ' A' ' 41' ' ' LYS . 58.8 t -57.94 -37.04 58.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 121.075 0.464 . . . . 0.0 110.839 -179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.538 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 1.6 t -71.6 -26.77 62.73 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.922 -178.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.462 ' HB3' ' HG3' ' A' ' 35' ' ' GLU . 25.8 t -79.07 -29.63 43.54 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.002 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 57' ' ' LEU . 17.2 tp -63.32 -49.55 73.53 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.306 -0.861 . . . . 0.0 109.058 173.101 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.557 ' HE3' HG12 ' A' ' 37' ' ' VAL . 94.2 mttt -56.26 -44.82 80.1 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.631 176.337 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.41 ' O ' HG13 ' A' ' 46' ' ' ILE . 32.3 t70 -59.89 -46.72 88.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.845 -178.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -62.03 -43.86 97.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.178 178.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.421 HG13 ' O ' ' A' ' 40' ' ' LEU . 70.5 mt -62.48 -35.93 72.36 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.348 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.714 176.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -66.97 -29.04 68.78 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.185 0.517 . . . . 0.0 111.312 178.301 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 42' ' ' ASP . 89.7 mt -72.04 -41.54 67.96 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.496 177.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.9 t -79.24 -55.71 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.02 0.438 . . . . 0.0 110.733 179.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -94.39 147.77 22.89 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.003 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 54.4 m-80 -78.4 -5.34 52.05 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.631 -175.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.428 HG21 ' HB3' ' A' ' 55' ' ' MET . 7.7 m -64.81 126.18 90.46 Favored Pre-proline 0 N--CA 1.445 -0.676 0 CA-C-O 121.34 0.59 . . . . 0.0 111.526 -178.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.71 ' HB2' ' HD3' ' A' ' 54' ' ' ARG . 38.5 Cg_exo -58.97 143.96 99.45 Favored 'Trans proline' 0 N--CA 1.463 -0.313 0 C-N-CA 122.814 2.343 . . . . 0.0 111.33 173.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.546 HG23 ' HB3' ' A' ' 41' ' ' LYS . 49.7 mt -59.92 -39.0 78.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -173.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -78.45 -10.28 59.64 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.019 0.378 . . . . 0.0 112.019 -178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.795 ' HG3' ' HB3' ' A' ' 88' ' ' SER . 4.3 mpt_? -93.29 -16.07 25.12 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.729 0.299 . . . . 0.0 111.361 -176.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.428 ' HB3' HG21 ' A' ' 50' ' ' THR . 22.8 ptt? -114.36 130.03 56.67 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.101 0.477 . . . . 0.0 110.977 -178.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 88.7 mt-30 -111.61 132.47 54.54 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.687 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.835 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . 19.8 mt -91.7 130.78 37.43 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.075 -176.633 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.467 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 76.6 m-85 -126.94 133.96 50.52 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.874 0.368 . . . . 0.0 110.846 176.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -134.3 113.19 11.68 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.293 178.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.6 t 62.84 19.56 11.59 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.776 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.54 -9.58 58.97 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.89 -0.672 . . . . 0.0 112.145 -178.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 63.4 mt -84.94 128.57 38.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 179.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -84.73 111.67 19.8 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.602 -179.465 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.835 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 16.0 mt -87.42 77.85 8.79 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.833 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -104.6 -34.82 8.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.406 -177.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -67.94 110.33 3.83 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.389 0.614 . . . . 0.0 111.498 -175.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.538 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 20.3 m-20 -65.92 -30.46 71.05 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.495 -173.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 31.1 p90 -81.95 -0.51 44.32 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -174.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.485 ' HE ' ' HA ' ' A' ' 69' ' ' ARG . 2.0 mmp_? -89.55 163.77 15.06 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.615 0.245 . . . . 0.0 110.825 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.578 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 14.8 m120 -111.55 155.43 23.31 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.573 -0.529 . . . . 0.0 109.573 177.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.627 HD11 HD13 ' A' ' 40' ' ' LEU . 73.0 mt -61.58 -50.86 70.92 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.303 0.483 . . . . 0.0 112.303 -175.526 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -59.74 -26.86 66.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.609 -176.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.578 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 54.1 mm-40 -58.31 -34.79 70.98 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-O 120.929 0.395 . . . . 0.0 110.703 178.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -84.45 2.9 38.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.902 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 94.66 10.56 57.78 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.61 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 68.7 mt -72.91 109.33 4.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.208 0.528 . . . . 0.0 110.31 178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.555 ' O ' HG21 ' A' ' 16' ' ' ILE . 4.1 t -107.37 -50.07 3.14 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.424 -0.807 . . . . 0.0 111.158 -177.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 39.3 tt0 178.82 149.07 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.901 -0.591 . . . . 0.0 109.776 -179.339 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.444 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 47.6 m-85 59.22 23.8 12.18 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 123.51 0.506 . . . . 0.0 111.816 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 9.4 p -70.58 131.5 44.06 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.245 177.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -85.92 109.65 18.88 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.8 mm -96.0 109.12 22.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.831 -179.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 24.5 t -90.71 106.03 17.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.947 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.695 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 47.7 t -88.63 105.12 15.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.471 -177.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.467 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 27.0 m-85 -91.24 113.0 25.15 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.19 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 29.2 mt -81.88 122.14 27.36 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.186 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 32.4 mmtp -98.82 -9.19 24.7 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.375 0.607 . . . . 0.0 109.763 178.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.795 ' HB3' ' HG3' ' A' ' 54' ' ' ARG . 35.9 t -163.46 150.39 12.37 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.146 -0.934 . . . . 0.0 108.514 176.338 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 41.7 pt -124.65 11.65 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.02 0.438 . . . . 0.0 110.688 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 20.2 m120 -79.97 126.63 31.28 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.642 -178.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 19.3 mtp180 -80.98 148.8 29.61 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.232 -178.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -120.28 -14.82 8.73 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -171.766 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 47.7 mtpt -102.88 23.65 11.87 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.515 0.674 . . . . 0.0 109.629 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.248 1.014 0 CA-C-N 115.04 -0.982 . . . . 0.0 110.158 -177.953 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.3 mtt . . . . . 0 N--CA 1.482 1.14 0 CA-C-O 120.683 0.278 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.66 -169.29 40.75 Favored Glycine 0 N--CA 1.449 -0.439 0 N-CA-C 111.656 -0.578 . . . . 0.0 111.656 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -138.4 137.63 37.45 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 120.93 0.395 . . . . 0.0 110.908 178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -124.18 91.07 3.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.725 175.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.9 p80 -88.13 134.43 33.77 Favored 'General case' 0 C--N 1.32 -0.699 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 176.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 24.1 p80 -68.64 133.8 49.0 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.338 0.59 . . . . 0.0 112.024 -171.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -108.23 -175.75 2.86 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.661 -0.866 . . . . 0.0 108.661 173.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 20.3 t-80 -67.72 117.07 9.14 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 177.613 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.3 m -63.21 128.65 36.82 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.19 -174.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -151.63 87.61 1.37 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.953 0.883 . . . . 0.0 109.003 169.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -102.37 11.24 38.33 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.264 -0.88 . . . . 0.0 111.68 -171.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -88.34 14.85 8.68 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.416 0.626 . . . . 0.0 110.809 -179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 12.3 t -86.23 160.73 3.05 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.145 177.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 14' ' ' ARG . 9.9 mmm180 -88.84 109.56 20.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.061 0.457 . . . . 0.0 111.147 -178.329 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.421 ' HE2' ' OD2' ' A' ' 32' ' ' ASP . 0.8 OUTLIER -90.43 133.72 34.82 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.288 175.76 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 25.9 pt -109.47 159.45 8.97 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.936 -173.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.445 ' CD2' ' HG2' ' A' ' 30' ' ' GLU . 69.2 m80 -100.94 112.08 24.44 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.788 177.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.3 m -97.54 132.39 42.36 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 CA-C-O 121.165 0.507 . . . . 0.0 110.581 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.517 ' HB ' ' HA ' ' A' ' 81' ' ' GLU . 5.7 m -85.62 109.63 18.69 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.806 -0.633 . . . . 0.0 109.671 178.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 46.2 t -90.17 113.76 26.79 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.838 0 CA-C-O 120.938 0.399 . . . . 0.0 110.491 -176.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.554 ' HB2' ' HA ' ' A' ' 83' ' ' VAL . 71.5 mmtt -91.58 107.11 18.98 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.39 178.568 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -110.03 150.86 42.02 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.133 175.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -60.16 -19.85 58.78 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.786 2.324 . . . . 0.0 112.565 177.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.0 m -93.14 -60.44 1.79 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.64 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -145.25 174.32 11.2 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.145 0.497 . . . . 0.0 111.321 -178.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 15.5 tt0 -115.68 142.42 46.76 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.007 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -154.48 174.11 15.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.007 -0.368 . . . . 0.0 110.007 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 2.5 m -122.82 140.65 52.7 Favored 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 110.139 -0.319 . . . . 0.0 110.139 -178.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.0 t -122.23 137.14 56.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.214 -179.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' HG2' ' CD2' ' A' ' 17' ' ' HIS . 55.3 mt-10 -89.29 109.97 20.8 Favored 'General case' 0 CA--C 1.512 -0.507 0 CA-C-O 121.171 0.51 . . . . 0.0 110.299 176.727 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.536 HG11 HD12 ' A' ' 40' ' ' LEU . 35.0 m -131.22 145.61 35.08 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.142 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.514 -178.244 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.421 ' OD2' ' HE2' ' A' ' 15' ' ' LYS . 9.3 t0 -64.3 142.75 58.31 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 176.353 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -73.44 -16.82 61.3 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.471 -0.492 . . . . 0.0 110.616 -178.301 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 69.7 p -97.58 9.93 41.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.019 0.438 . . . . 0.0 110.368 176.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -73.66 148.14 43.06 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.207 179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.6 p -83.44 150.89 25.75 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.338 -178.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.484 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 74.2 t -58.49 -34.73 51.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.614 -178.191 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.522 ' HB2' ' HB3' ' A' ' 67' ' ' ASP . 0.4 OUTLIER -64.23 -35.07 79.61 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.894 0.378 . . . . 0.0 110.68 -178.766 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.459 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 34.4 t -80.24 -28.74 38.44 Favored 'General case' 0 N--CA 1.451 -0.404 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 -179.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.736 HD23 HD13 ' A' ' 57' ' ' LEU . 18.3 tp -59.41 -52.28 66.27 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.798 -0.637 . . . . 0.0 109.784 176.486 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.67 ' HG3' HD11 ' A' ' 57' ' ' LEU . 48.6 mtmt -65.89 -32.84 74.58 Favored 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.887 178.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.518 ' O ' HG13 ' A' ' 46' ' ' ILE . 23.1 t70 -57.24 -45.89 83.52 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.481 178.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.546 ' HA ' HD12 ' A' ' 46' ' ' ILE . 65.2 mttm -68.58 -39.7 80.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.915 -179.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.403 HG13 ' O ' ' A' ' 40' ' ' LEU . 61.9 mt -60.22 -37.45 73.61 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.434 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 174.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -65.24 -30.48 71.36 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.712 0.291 . . . . 0.0 111.122 177.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.546 HD12 ' HA ' ' A' ' 43' ' ' LYS . 66.3 mt -72.23 -49.51 42.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 120.968 0.413 . . . . 0.0 110.709 178.524 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 83.9 t -71.2 -52.29 28.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.467 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -104.17 124.77 49.71 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.224 -177.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -78.08 70.57 4.47 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.496 0.665 . . . . 0.0 110.392 -177.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 88.7 m -132.97 128.04 20.46 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.179 -0.919 . . . . 0.0 109.833 177.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -52.84 135.55 57.77 Favored 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.896 2.398 . . . . 0.0 112.476 176.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 90.0 mt -65.39 -18.86 24.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.221 179.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -67.94 -26.35 65.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.564 -0.744 . . . . 0.0 111.339 177.506 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 82.9 mtt180 -94.97 -46.49 6.81 Favored 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 111.912 0.338 . . . . 0.0 111.912 -174.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . 0.4 ' HB2' ' CG1' ' A' ' 84' ' ' VAL . 23.9 ptt? -80.52 116.55 20.62 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.535 0.683 . . . . 0.0 111.726 -173.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -111.72 133.14 54.15 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.445 179.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.869 ' HB2' ' HB2' ' A' ' 64' ' ' LEU . 18.5 mt -90.6 140.24 29.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.22 -171.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.429 ' CD1' ' HD2' ' A' ' 85' ' ' PHE . 51.6 m-85 -131.67 139.43 49.07 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.382 174.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.492 ' CD2' HG12 ' A' ' 76' ' ' ILE . 40.6 t80 -130.96 112.92 13.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.071 179.364 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 22.4 t 61.89 -94.41 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.308 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.293 -175.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -127.66 7.21 6.98 Favored Glycine 0 N--CA 1.45 -0.392 0 N-CA-C 111.253 -0.739 . . . . 0.0 111.253 173.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 45.1 mt -98.95 129.25 49.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.246 -0.477 . . . . 0.0 110.09 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.51 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -86.48 134.24 33.69 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 174.75 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.869 ' HB2' ' HB2' ' A' ' 57' ' ' LEU . 56.5 mt -91.19 63.02 4.92 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 177.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -84.53 -23.9 29.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.323 -175.482 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -92.74 107.47 19.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.494 0.664 . . . . 0.0 111.262 -179.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.522 ' HB3' ' HB2' ' A' ' 38' ' ' SER . 1.1 m-20 -66.49 -33.39 75.58 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 114.654 -1.157 . . . . 0.0 112.639 -175.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.7 p90 -78.46 -12.93 60.04 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -171.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.448 ' HE ' ' HG3' ' A' ' 73' ' ' GLU . 4.9 mtp85 -86.78 152.14 22.76 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.335 -0.546 . . . . 0.0 111.004 -177.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.513 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 72.2 m-20 -81.25 154.25 26.7 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.446 -0.797 . . . . 0.0 109.546 177.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.7 HD21 HD22 ' A' ' 40' ' ' LEU . 66.7 mt -59.94 -31.96 70.34 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.789 0.804 . . . . 0.0 109.378 174.2 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -55.71 -35.07 65.69 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.427 -1.26 . . . . 0.0 111.992 174.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.513 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 15.2 mm-40 -66.56 -23.32 66.19 Favored 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.195 -175.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -98.96 -12.84 20.28 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.538 -178.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 84.26 38.82 9.62 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.249 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.492 HG12 ' CD2' ' A' ' 59' ' ' TYR . 43.8 mt -80.1 118.73 28.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.931 0.396 . . . . 0.0 110.233 179.449 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 11.6 t -101.4 -175.85 2.98 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.515 -173.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.577 ' HG3' ' CD2' ' A' ' 79' ' ' PHE . 10.9 tp10 -67.13 139.26 57.49 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.104 -178.302 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.577 ' CD2' ' HG3' ' A' ' 78' ' ' GLU . 58.7 m-85 55.82 51.37 12.4 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.366 0.603 . . . . 0.0 110.898 -179.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.457 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 4.4 p -97.79 145.28 26.54 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.358 -179.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.517 ' HA ' ' HB ' ' A' ' 19' ' ' THR . 4.3 mp0 -89.84 123.07 33.48 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.159 0.504 . . . . 0.0 110.94 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 49.8 mm -107.48 112.57 40.64 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-N 115.271 -0.877 . . . . 0.0 109.118 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.554 ' HA ' ' HB2' ' A' ' 21' ' ' LYS . 37.1 t -87.48 110.7 20.96 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.699 -0.682 . . . . 0.0 109.674 -177.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' A' ' 55' ' ' MET . 58.3 t -95.75 108.98 21.87 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.037 0.446 . . . . 0.0 110.449 -178.853 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.429 ' HD2' ' CD1' ' A' ' 58' ' ' TYR . 45.3 m-85 -91.56 118.66 30.8 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.839 -0.619 . . . . 0.0 109.674 176.803 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.1 mt -85.3 110.92 19.42 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.194 0.521 . . . . 0.0 109.907 179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -111.68 115.62 29.41 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.012 -177.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.5 t -78.75 97.85 6.05 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.463 -178.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.423 HD13 ' H ' ' A' ' 89' ' ' ILE . 0.2 OUTLIER -62.3 145.07 13.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.722 -179.233 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -106.21 172.52 6.77 Favored 'General case' 0 C--N 1.316 -0.851 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.858 178.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.437 ' HA ' ' HD3' ' A' ' 91' ' ' ARG . 21.7 mmt180 -88.38 101.74 14.19 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-O 121.174 0.512 . . . . 0.0 109.671 178.119 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -83.0 171.8 13.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.762 -172.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -94.55 -50.29 5.26 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.582 179.532 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 . . . . . 0 C--O 1.248 0.992 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.616 179.419 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 mpt? . . . . . 0 N--CA 1.479 1.023 0 N-CA-C 110.087 -0.338 . . . . 0.0 110.087 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.36 160.26 47.52 Favored Glycine 0 N--CA 1.448 -0.533 0 C-N-CA 120.877 -0.678 . . . . 0.0 113.002 -177.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.4 m170 -119.76 142.74 48.28 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 3.7 t-80 -89.18 -15.92 32.59 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.748 -168.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 61.8 m-70 -92.06 -58.3 2.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.318 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 -62.48 -32.47 73.37 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.945 0.402 . . . . 0.0 110.421 -178.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 18.6 t-160 -106.84 84.1 1.94 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 172.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 44.7 t-80 -94.31 121.13 35.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.218 -0.901 . . . . 0.0 110.891 -172.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.541 ' HB3' ' HB3' ' A' ' 12' ' ' ALA . 45.3 m -138.34 168.5 19.63 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.322 -178.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 -133.96 114.47 13.29 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 175.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . 62.2 12.13 4.9 Favored 'General case' 0 N--CA 1.469 0.5 0 O-C-N 123.557 0.535 . . . . 0.0 111.995 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.541 ' HB3' ' HB3' ' A' ' 9' ' ' SER . . . -105.02 15.3 27.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.575 0.702 . . . . 0.0 110.458 -179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 27.4 m -88.14 165.75 2.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.412 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.8 mtt180 -99.28 120.38 39.46 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.187 0.517 . . . . 0.0 111.697 -176.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -91.0 136.22 33.22 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 171.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 33.9 pt -96.59 144.4 10.52 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.997 0 CA-C-O 121.317 0.58 . . . . 0.0 111.271 -173.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . 0.421 ' H ' ' HG3' ' A' ' 78' ' ' GLU . 8.4 m80 -82.47 100.19 9.91 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.298 175.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 m -93.07 141.76 14.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.495 178.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -90.64 109.28 20.45 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.856 -0.424 . . . . 0.0 109.856 178.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 94.2 t -95.51 109.54 22.71 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-O 121.065 0.46 . . . . 0.0 109.786 -179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.432 ' HG2' ' HG3' ' A' ' 26' ' ' GLN . 44.0 mtmt -96.71 101.05 12.58 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.326 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -92.64 152.05 41.6 Favored Pre-proline 0 C--N 1.32 -0.713 0 CA-C-N 115.627 -0.715 . . . . 0.0 109.119 171.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -60.39 -23.24 74.17 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.202 1.934 . . . . 0.0 111.547 174.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 8.3 m -87.56 -36.72 17.4 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.577 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -161.05 166.57 27.94 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.697 0.284 . . . . 0.0 110.826 -172.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.432 ' HG3' ' HG2' ' A' ' 21' ' ' LYS . 27.6 tt0 -122.79 126.42 47.4 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.8 p90 -146.77 160.08 42.7 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.035 0.445 . . . . 0.0 110.956 -177.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -103.45 139.23 39.09 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.229 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 45.6 t -121.81 139.1 49.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -89.72 102.56 15.25 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.195 0.521 . . . . 0.0 110.455 175.538 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.53 HG12 ' HD2' ' A' ' 43' ' ' LYS . 35.4 m -122.57 145.82 28.77 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.495 -0.775 . . . . 0.0 109.592 177.396 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.461 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 10.4 t0 -70.97 139.95 50.74 Favored 'General case' 0 C--N 1.316 -0.855 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 179.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -75.87 -12.24 60.12 Favored 'General case' 0 C--N 1.325 -0.496 0 C-N-CA 120.535 -0.466 . . . . 0.0 111.026 -179.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 18.0 p -98.75 12.36 35.79 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.182 0.515 . . . . 0.0 110.664 172.307 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.461 ' HB2' ' HB3' ' A' ' 32' ' ' ASP . 10.4 tp10 -83.65 158.69 21.77 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.991 -0.549 . . . . 0.0 109.556 176.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 12.3 p -92.82 157.43 16.4 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.58 -176.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.549 ' HB ' ' HA ' ' A' ' 67' ' ' ASP . 95.8 t -59.83 -33.8 53.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.454 -178.801 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.562 ' HB3' ' HB3' ' A' ' 67' ' ' ASP . 1.0 OUTLIER -62.58 -37.45 86.23 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.536 179.745 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.44 ' O ' ' HG3' ' A' ' 43' ' ' LYS . 17.4 m -79.28 -26.14 42.36 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.093 0.473 . . . . 0.0 109.824 -179.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.558 HD13 HD11 ' A' ' 71' ' ' LEU . 16.0 tp -60.27 -49.03 79.23 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 109.048 -0.723 . . . . 0.0 109.048 174.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HE3' HG12 ' A' ' 37' ' ' VAL . 92.2 mttt -61.98 -41.08 97.63 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.525 176.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.46 ' O ' HG13 ' A' ' 46' ' ' ILE . 21.7 t70 -57.4 -48.09 80.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.663 -178.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.53 ' HD2' HG12 ' A' ' 31' ' ' VAL . 55.0 mttm -66.59 -43.47 84.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.213 -178.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 79.0 mt -59.95 -39.65 80.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.486 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -62.67 -30.34 71.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.111 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 42' ' ' ASP . 82.7 mt -75.22 -47.87 33.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.944 0.402 . . . . 0.0 110.894 178.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 55.0 t -70.75 -54.46 17.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.06 -177.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 -100.98 152.76 20.18 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.778 -177.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -93.41 81.04 4.38 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.372 0.606 . . . . 0.0 110.957 -178.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . 0.595 HG21 HD22 ' A' ' 86' ' ' LEU . 97.9 m -150.0 127.47 5.59 Favored Pre-proline 0 C--N 1.314 -0.942 0 CA-C-N 115.263 -0.88 . . . . 0.0 110.237 174.528 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -57.5 139.77 91.2 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.769 2.313 . . . . 0.0 111.577 173.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 82.5 mt -62.71 -23.96 34.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 121.224 0.535 . . . . 0.0 110.796 -178.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.541 ' HB3' ' HD3' ' A' ' 91' ' ' ARG . 63.4 mttp -76.56 -10.3 59.29 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.937 178.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 69.8 mtt180 -104.27 -45.64 4.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.602 0.239 . . . . 0.0 111.539 -179.279 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -79.24 133.26 36.67 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.176 0.512 . . . . 0.0 111.37 -176.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -112.83 125.07 53.95 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.878 179.017 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.456 HD13 HD23 ' A' ' 40' ' ' LEU . 53.6 mt -87.74 128.87 35.31 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.051 -175.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' TYR . . . . . 0.583 ' HB2' ' HB ' ' A' ' 83' ' ' VAL . 51.8 m-85 -122.29 121.78 37.56 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.11 175.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -93.1 117.97 30.67 Favored 'General case' 0 C--N 1.313 -0.994 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 168.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 78.1 p 55.54 -95.87 0.06 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.263 0.625 . . . . 0.0 111.055 -172.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -125.76 10.15 7.56 Favored Glycine 0 N--CA 1.453 -0.194 0 N-CA-C 111.19 -0.764 . . . . 0.0 111.19 175.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.6 mt -105.68 130.25 57.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 114.921 -0.639 . . . . 0.0 110.052 -175.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.498 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -85.37 141.47 29.99 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 121.036 0.446 . . . . 0.0 109.97 179.404 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.4 mt -89.95 88.3 7.26 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-O 121.161 0.505 . . . . 0.0 109.725 -179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.91 -35.54 17.65 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.465 -0.789 . . . . 0.0 112.112 -173.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.9 m-20 -89.17 105.57 17.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.134 0.492 . . . . 0.0 111.54 -176.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.562 ' HB3' ' HB3' ' A' ' 38' ' ' SER . 5.6 m-20 -63.23 -41.61 99.13 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.259 -0.882 . . . . 0.0 112.094 -178.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.6 p90 -68.15 -11.54 59.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.966 -0.561 . . . . 0.0 112.05 -176.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -77.89 143.96 37.31 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.805 0.336 . . . . 0.0 111.541 -177.013 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.545 ' HB2' ' HG2' ' A' ' 73' ' ' GLU . 14.4 m120 -80.41 149.53 30.12 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 175.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.558 HD11 HD13 ' A' ' 40' ' ' LEU . 66.3 mt -59.57 -31.01 69.04 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.691 0.758 . . . . 0.0 109.554 175.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -58.41 -36.94 74.36 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.787 -1.097 . . . . 0.0 111.946 175.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.545 ' HG2' ' HB2' ' A' ' 70' ' ' ASN . 10.4 mm-40 -66.02 -30.87 71.48 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 120.861 0.363 . . . . 0.0 110.649 -175.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -83.5 -13.28 54.96 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.876 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 82.86 37.93 12.43 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.838 -0.696 . . . . 0.0 111.757 -176.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.8 mt -85.44 120.54 35.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.05 0.452 . . . . 0.0 110.246 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 14.8 t -113.35 -174.85 2.54 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.691 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.449 ' HG2' ' CD2' ' A' ' 79' ' ' PHE . 26.0 tt0 -76.51 145.91 38.8 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 110.376 -0.231 . . . . 0.0 110.376 -179.483 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PHE . . . . . 0.449 ' CD2' ' HG2' ' A' ' 78' ' ' GLU . 65.1 m-85 68.32 29.66 5.82 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.726 -176.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 13.6 p -85.84 164.32 17.59 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.166 174.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.8 mp0 -106.62 119.07 38.32 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.401 0.619 . . . . 0.0 111.391 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 41.1 mm -108.87 106.55 20.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.034 173.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.583 ' HB ' ' HB2' ' A' ' 58' ' ' TYR . 12.2 t -89.83 122.14 40.84 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.032 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.818 -176.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 50.1 t -105.99 101.09 11.91 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 CA-C-O 121.135 0.493 . . . . 0.0 110.755 -178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -95.46 119.21 33.57 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.115 176.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.595 HD22 HG21 ' A' ' 50' ' ' THR . 24.3 mt -85.53 116.01 23.58 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.166 -176.71 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.434 ' HA ' ' HZ2' ' A' ' 87' ' ' LYS . 2.0 mmpm? -85.85 115.09 23.28 Favored 'General case' 0 C--N 1.319 -0.717 0 N-CA-C 109.537 -0.542 . . . . 0.0 109.537 177.24 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 6.5 m -76.79 60.3 1.71 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.403 0.62 . . . . 0.0 110.834 -178.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . . . . . . . . . 27.3 pt -114.47 133.73 59.63 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.633 -179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -90.27 95.37 10.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.852 177.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.541 ' HD3' ' HB3' ' A' ' 53' ' ' LYS . 46.6 mtp180 -88.61 106.65 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.049 0.452 . . . . 0.0 110.433 178.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -122.06 141.84 50.97 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.031 178.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 3.4 ptpp? -72.56 -21.29 61.18 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.378 0.609 . . . . 0.0 109.898 178.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 . . . . . 0 C--O 1.245 0.856 0 CA-C-N 114.854 -1.066 . . . . 0.0 110.59 -174.068 . . . . . . . . 0 0 . 1 stop_ save_