data_2e3f_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 2e3f _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 ' 19' ' ' LEU . . . . . . . . . . . . . 42.7 mt . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.602 0.239 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.92 -48.71 75.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.297 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.44 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -66.53 -36.89 83.81 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.547 0.213 . . . . 0.0 110.708 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.08 -41.74 88.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.306 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.453 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 77.6 t60 -65.7 -38.01 88.04 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 85.7 m -60.31 -44.14 95.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.886 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 21' ' ' ALA . 88.5 mt -57.64 -33.66 45.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.936 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 23' ' ' HIS . . . -60.41 -28.76 68.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.206 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -111.25 38.87 2.43 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 60.62 27.02 16.72 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.538 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 82.3 m-85 -103.98 155.81 18.36 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -71.92 -51.01 24.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 155.03 137.68 2.44 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.424 -0.894 . . . . 0.0 112.61 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.33 -83.2 0.18 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.004 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.0 t80 53.29 45.36 28.64 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.331 0.586 . . . . 0.0 110.537 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.569 ' SG ' ' HA ' ' A' ' 38' ' ' ARG . 8.7 t 64.58 116.55 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.769 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.631 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 2.5 m120 -80.59 -154.69 0.1 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.08 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.482 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -62.98 -42.97 99.55 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.695 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -76.96 -84.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.824 0.312 . . . . 0.0 110.24 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.569 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 1.6 ppt_? -173.49 14.22 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.515 HG22 ' HD2' ' A' ' 38' ' ' ARG . 19.2 t -106.3 142.58 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.2 t -81.89 51.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 111.044 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.631 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 61.9 t -67.13 133.77 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 64.1 m -70.61 132.15 45.03 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.063 0.459 . . . . 0.0 110.848 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.939 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.936 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.478 HD11 ' N ' ' A' ' 20' ' ' CYS . 4.3 pp . . . . . 0 N--CA 1.487 1.416 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.478 ' N ' HD11 ' A' ' 19' ' ' LEU . 51.0 t -60.8 -38.97 87.16 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 122.435 0.294 . . . . 0.0 111.33 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.26 84.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.852 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.9 77.22 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.819 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -64.2 -40.98 97.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.4 m -64.99 -48.3 74.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.93 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.27 -37.7 74.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.974 0.416 . . . . 0.0 110.457 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.88 -19.77 64.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.408 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.48 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 4.6 mmp_? -113.56 28.19 8.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.096 0.474 . . . . 0.0 110.723 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 60.29 47.71 8.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.384 -0.826 . . . . 0.0 113.102 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -125.04 152.77 43.84 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -67.04 -44.89 79.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.321 0.582 . . . . 0.0 109.913 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.3 137.59 9.52 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.366 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.38 115.01 0.63 Allowed Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.304 -0.951 . . . . 0.0 112.717 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.4 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 62.2 t80 -75.64 132.84 40.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.753 -0.224 . . . . 0.0 110.705 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.427 ' HA ' ' C ' ' A' ' 39' ' ' VAL . 14.0 m 46.43 79.92 0.05 Allowed 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.67 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 7.1 m120 -75.63 -153.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.05 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.406 ' O ' ' HD3' ' A' ' 38' ' ' ARG . . . -62.95 -26.23 68.75 Favored Glycine 0 N--CA 1.452 -0.248 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -76.47 4.55 8.9 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.406 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 1.0 OUTLIER 65.77 11.78 7.84 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.075 0.55 . . . . 0.0 111.575 -179.702 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 40' ' ' CYS . 21.7 t -137.28 152.77 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.483 ' N ' HG12 ' A' ' 39' ' ' VAL . 34.3 t -64.25 120.63 12.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.299 0.571 . . . . 0.0 110.42 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.67 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 60.2 t -130.12 141.19 46.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.148 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 89.6 m -74.73 123.66 25.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.309 0.576 . . . . 0.0 111.255 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.0 ptm85 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.339 -0.846 . . . . 0.0 108.732 179.753 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 19' ' ' LEU . 2.6 pt? . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 120.592 0.234 . . . . 0.0 111.577 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.44 ' HB2' ' HD1' ' A' ' 33' ' ' TYR . 93.9 m -57.73 -42.39 83.78 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.11 82.04 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.59 -41.48 81.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.949 0.404 . . . . 0.0 110.566 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -63.34 -37.98 89.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.287 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 29' ' ' TYR . 59.9 m -68.36 -51.36 45.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.773 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.3 mt -56.94 -32.79 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.064 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.18 -34.49 66.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.24 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 79.0 mtp180 -103.16 31.64 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.268 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 61.88 28.07 17.13 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.467 ' HB2' ' O ' ' A' ' 24' ' ' CYS . 34.3 m-85 -84.72 165.19 18.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -69.65 -45.02 69.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.324 0.583 . . . . 0.0 109.574 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.36 142.45 4.9 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.519 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.21 140.93 6.79 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.874 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 38.9 t80 -122.46 -43.23 2.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.837 0.351 . . . . 0.0 110.943 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.7 t -156.99 120.22 4.11 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.089 0.471 . . . . 0.0 109.839 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -105.45 -169.17 1.56 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.806 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.84 -26.04 59.95 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.426 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -77.83 -4.39 46.33 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.038 0.535 . . . . 0.0 111.526 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 62.11 40.91 11.43 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.283 0.563 . . . . 0.0 110.401 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 40' ' ' CYS . 67.6 t -139.85 150.61 21.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.562 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.553 ' N ' HG13 ' A' ' 39' ' ' VAL . 66.3 m -71.55 52.87 0.21 Allowed 'General case' 0 CA--C 1.531 0.215 0 O-C-N 123.592 0.558 . . . . 0.0 111.348 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.72 127.75 27.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.4 m -75.5 115.98 15.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.882 0.849 . . . . 0.0 111.554 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 . . . . . 0 C--O 1.245 0.86 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.228 179.357 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 N--CA 1.466 0.358 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 t -67.76 -35.94 79.61 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.485 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -59.98 -32.81 71.19 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.443 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.65 73.1 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.084 0.468 . . . . 0.0 110.755 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -59.5 -39.08 82.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.641 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.9 m -73.78 -48.78 29.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.601 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 21' ' ' ALA . 87.3 mt -54.05 -43.79 60.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 122.698 0.399 . . . . 0.0 111.331 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.91 71.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.942 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.422 HH11 ' HG3' ' A' ' 27' ' ' ARG . 37.6 mtt85 -92.09 30.75 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.145 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 66.21 12.34 8.49 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 92.2 m-85 -89.57 160.46 16.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.946 -0.471 . . . . 0.0 110.388 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -72.8 -48.38 38.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.927 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.87 -146.33 7.8 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.63 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.64 55.75 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.715 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -58.02 -52.77 64.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.105 0.478 . . . . 0.0 110.484 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.5 t -171.5 124.15 0.57 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.481 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 1.9 m120 -99.66 -174.77 2.8 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.757 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.84 -25.71 56.6 Favored Glycine 0 C--N 1.33 0.206 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.663 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -72.8 6.4 2.57 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.513 0.325 . . . . 0.0 111.217 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 59.91 36.4 21.78 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.202 0.525 . . . . 0.0 110.672 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.1 p -159.47 158.94 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.85 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.9 t -66.91 118.11 9.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.295 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.481 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 46.5 t -137.43 132.2 45.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 84.8 m -67.59 133.66 49.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.437 0.637 . . . . 0.0 112.133 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 . . . . . 0 C--O 1.245 0.83 0 CA-C-O 117.77 -1.11 . . . . 0.0 108.828 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 19' ' ' LEU . 83.1 mt . . . . . 0 N--CA 1.467 0.379 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.5 t -60.08 -37.46 79.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.49 0.662 . . . . 0.0 109.309 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.534 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -58.63 -33.5 70.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.735 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.66 -43.16 76.01 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 111.579 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -68.63 -35.34 77.17 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.5 m -66.78 -38.13 85.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.896 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 21' ' ' ALA . 88.6 mt -59.26 -35.45 58.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.33 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.17 -33.5 73.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.176 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.499 ' HB2' ' HD2' ' A' ' 29' ' ' TYR . 69.0 mtt-85 -87.31 28.16 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.19 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 20.7 ptt-85 52.19 28.83 5.87 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.641 1.177 . . . . 0.0 112.776 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.499 ' HD2' ' HB2' ' A' ' 27' ' ' ARG . 44.1 m-85 -96.22 157.96 15.66 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -64.18 -40.62 96.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.292 0.568 . . . . 0.0 109.766 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 177.2 -145.14 7.09 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.418 179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.01 36.88 0.56 Allowed Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.43 -0.891 . . . . 0.0 111.912 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -64.23 128.25 34.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -18.33 119.18 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 O-C-N 125.025 1.453 . . . . 0.0 113.279 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.435 ' CG ' ' HB ' ' A' ' 41' ' ' VAL . 1.7 m120 -92.99 -150.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.727 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -68.06 -34.88 82.63 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' A' ' 39' ' ' VAL . 20.8 tptm -69.41 -3.07 12.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.042 -0.579 . . . . 0.0 111.214 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 75.19 -24.44 0.22 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.624 0.77 . . . . 0.0 111.585 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG22 ' N ' ' A' ' 40' ' ' CYS . 8.2 p -88.26 158.3 3.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.345 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.476 ' N ' HG22 ' A' ' 39' ' ' VAL . 4.9 t -61.72 124.09 19.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.094 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.435 ' HB ' ' CG ' ' A' ' 35' ' ' ASN . 77.1 t -137.21 125.05 32.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.8 m -64.25 126.2 26.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.455 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 117.955 -1.022 . . . . 0.0 108.936 179.326 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 CA--C 1.521 -0.149 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.69 -6.39 15.47 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.096 0.474 . . . . 0.0 110.494 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.15 82.49 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.333 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . 0.45 ' O ' ' HB1' ' A' ' 26' ' ' ALA . . . -54.25 -48.05 71.58 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.851 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -58.48 -42.57 87.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.019 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.1 m -68.06 -58.94 3.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.345 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 87.4 mt -54.9 -37.52 41.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.934 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 22' ' ' ALA . . . -60.66 -35.07 75.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.54 179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.9 mtt85 -97.84 31.12 2.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.822 0.344 . . . . 0.0 111.803 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 65.33 29.48 11.52 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.51 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 56.4 m-85 -104.56 159.38 15.8 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -82.42 -44.11 16.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.108 0.48 . . . . 0.0 110.363 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 43' ' ' ARG . . . 149.58 128.0 1.59 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.758 ' HA2' ' HG3' ' A' ' 43' ' ' ARG . . . -74.39 -46.4 20.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 114.007 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.9 t80 55.14 43.04 30.13 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.752 0.787 . . . . 0.0 110.171 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.7 t 67.96 133.41 0.03 OUTLIER 'General case' 0 C--N 1.34 0.194 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.599 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -119.73 -168.25 1.56 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.655 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.75 -38.09 80.94 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 113.394 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -69.42 -8.1 43.64 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 62.26 36.53 14.7 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.876 0.846 . . . . 0.0 109.815 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.435 HG13 ' H ' ' A' ' 40' ' ' CYS . 23.0 t -129.11 165.36 29.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.484 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.435 ' H ' HG13 ' A' ' 39' ' ' VAL . 1.8 m -70.44 61.82 0.23 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.881 0.372 . . . . 0.0 111.422 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.69 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 22.5 t -83.86 131.08 34.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 95.6 m -87.11 136.26 32.99 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.758 ' HG3' ' HA2' ' A' ' 32' ' ' GLY . 77.6 mtm180 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.128 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.49 HD21 ' N ' ' A' ' 19' ' ' LEU . 2.4 pt? . . . . . 0 N--CA 1.464 0.235 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 t -51.76 -32.28 30.16 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.481 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -57.13 -30.08 64.11 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.366 0.135 . . . . 0.0 111.366 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.99 -40.63 73.61 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.856 0.36 . . . . 0.0 110.785 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -64.01 -39.17 93.5 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.618 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 72.8 m -66.95 -44.47 80.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.316 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 21' ' ' ALA . 88.0 mt -58.02 -35.44 52.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.902 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.07 -39.94 79.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.285 0.564 . . . . 0.0 109.988 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -92.3 16.46 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.528 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 64.9 35.22 8.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.618 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 35.8 m-85 -97.99 153.5 18.34 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 176.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -63.15 -44.6 95.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.249 0.547 . . . . 0.0 110.778 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.533 ' O ' ' HA ' ' A' ' 42' ' ' CYS . . . 172.84 -145.2 8.31 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.2 45.85 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 119.699 -1.239 . . . . 0.0 113.374 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -65.17 130.34 42.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.644 0.222 . . . . 0.0 110.449 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -1.53 98.45 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 O-C-N 125.167 1.542 . . . . 0.0 113.857 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.572 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 2.3 m120 -79.28 -156.32 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.094 -178.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.422 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -60.47 -39.59 96.54 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.858 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.416 ' HB3' HG11 ' A' ' 39' ' ' VAL . 28.2 tptp -73.75 3.96 5.79 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.182 0.515 . . . . 0.0 110.431 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? 60.45 37.53 19.79 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.8 0.81 . . . . 0.0 110.16 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.416 HG11 ' HB3' ' A' ' 37' ' ' LYS . 9.8 p -143.32 153.94 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.356 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.9 t -66.07 122.18 16.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.985 0.422 . . . . 0.0 110.596 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.572 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 65.1 t -136.3 115.41 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 77.0 m -61.2 118.33 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.092 0.472 . . . . 0.0 110.883 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.443 ' HD3' ' OD1' ' A' ' 35' ' ' ASN . 17.4 mmm180 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.628 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.9 mt . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.482 ' HB3' ' HA ' ' A' ' 33' ' ' TYR . 48.9 t -58.12 -40.35 81.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.857 0.36 . . . . 0.0 110.81 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.07 70.01 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.798 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.54 -43.57 80.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.904 0.383 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -71.34 -37.01 71.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.7 m -65.42 -46.67 79.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.998 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.69 -36.75 72.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.42 -40.1 89.82 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.727 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.8 mmt-85 -84.7 17.12 2.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.035 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 64.52 29.48 13.22 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -92.75 -168.54 1.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -89.47 -57.25 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.89 0.376 . . . . 0.0 110.068 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.94 148.04 5.51 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.436 -0.888 . . . . 0.0 113.023 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 20' ' ' CYS . . . 177.93 -150.94 10.26 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.482 ' HA ' ' HB3' ' A' ' 20' ' ' CYS . 10.5 t80 -150.43 -129.26 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.583 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 56.6 m -78.36 109.83 12.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.161 0.505 . . . . 0.0 110.488 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.503 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 18.9 m-80 -87.94 -147.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.384 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -58.32 -30.78 65.04 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.311 -0.471 . . . . 0.0 112.518 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -67.71 -13.14 61.85 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.456 ' C ' HG23 ' A' ' 39' ' ' VAL . 0.5 OUTLIER 65.0 32.38 10.53 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.384 0.611 . . . . 0.0 110.397 -178.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 29.7 t -151.64 159.74 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.439 ' H ' HG13 ' A' ' 39' ' ' VAL . 8.0 t -51.47 111.28 0.56 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.067 0.461 . . . . 0.0 110.313 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 35' ' ' ASN . 54.6 t -126.25 128.48 71.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.825 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.1 m -83.12 139.31 33.27 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.339 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.099 -179.312 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 82.8 m -56.43 -37.8 70.72 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 122.505 0.322 . . . . 0.0 111.494 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.49 -44.33 72.55 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.247 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.28 -49.74 73.37 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.639 0.257 . . . . 0.0 111.491 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.437 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 84.0 t60 -64.39 -42.02 96.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.118 0.485 . . . . 0.0 110.588 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 82.5 m -65.21 -48.68 72.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.248 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.39 -33.99 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.0 0.428 . . . . 0.0 110.293 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' ' 23' ' ' HIS . . . -57.47 -31.06 65.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.05 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -109.94 28.46 8.57 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.58 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 63.41 37.79 10.49 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.543 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 79.8 m-85 -107.33 153.2 23.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -68.9 -45.58 70.55 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.68 -148.81 9.24 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.05 52.75 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 119.423 -1.37 . . . . 0.0 114.054 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -83.16 121.44 27.07 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.414 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.435 ' HA ' ' C ' ' A' ' 39' ' ' VAL . 83.4 m 38.17 84.04 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 O-C-N 124.246 0.966 . . . . 0.0 113.352 178.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -71.23 -158.64 0.04 OUTLIER 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.026 0.441 . . . . 0.0 111.375 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.63 -35.46 81.04 Favored Glycine 0 C--N 1.33 0.209 0 CA-C-N 116.084 -0.507 . . . . 0.0 113.27 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 37' ' ' LYS . 3.6 mmmp? -74.15 15.04 0.35 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 54.39 36.3 25.13 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.1 0.476 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.435 ' C ' ' HA ' ' A' ' 34' ' ' CYS . 9.6 p -149.21 150.02 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.722 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -63.16 120.68 11.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.72 0.295 . . . . 0.0 110.838 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.415 HG23 HG12 ' A' ' 39' ' ' VAL . 59.4 t -145.66 126.01 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 97.4 m -67.82 139.22 56.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.953 0.406 . . . . 0.0 111.147 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.692 -0.671 . . . . 0.0 110.397 -179.413 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.4 mt . . . . . 0 C--O 1.233 0.196 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.0 -43.34 99.04 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.47 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -55.02 -45.62 75.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.441 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.51 -42.23 82.38 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.219 0.533 . . . . 0.0 110.623 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -64.78 -46.35 82.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.886 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.696 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 74.0 m -64.99 -45.64 84.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.819 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 21' ' ' ALA . 82.2 mt -55.2 -36.39 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 111.042 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.515 ' HB1' ' NH1' ' A' ' 27' ' ' ARG . . . -57.37 -35.65 70.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.515 ' NH1' ' HB1' ' A' ' 26' ' ' ALA . 1.3 mpt_? -93.86 28.12 2.51 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.484 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 65.39 38.88 5.49 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -109.34 152.93 24.64 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -66.69 -48.08 70.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.73 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.53 122.4 0.68 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.696 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -86.16 51.89 4.46 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.305 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . 0.453 ' CE1' ' HD3' ' A' ' 43' ' ' ARG . 4.1 p90 -65.55 157.76 28.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.88 0.34 . . . . 0.0 110.518 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 97.2 m -53.84 123.24 11.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.393 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.435 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 5.4 m120 -77.65 -150.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.322 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.54 -37.33 23.97 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.918 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -78.49 28.33 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.73 44.4 27.78 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 111.139 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.3 t -142.32 129.32 19.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 13.8 p -78.09 123.18 26.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.435 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 94.1 t -132.48 130.95 60.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.8 m -58.06 121.8 11.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.375 0.607 . . . . 0.0 111.331 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.453 ' HD3' ' CE1' ' A' ' 33' ' ' TYR . 14.5 ptm180 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.988 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.433 ' HB3' ' H ' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.46 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 7.9 m -58.6 132.29 53.37 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.071 0.232 . . . . 0.0 110.437 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.46 ' HB3' ' O ' ' A' ' 2' ' ' THR . 6.9 t 70.73 -60.55 0.5 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.712 0.633 . . . . 0.0 111.185 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -83.69 62.27 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.0 tp -102.11 142.28 33.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.744 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.25 -135.74 1.34 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.306 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.3 m -73.47 94.13 2.06 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -59.81 135.24 57.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.779 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.0 p -170.99 43.51 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.643 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.3 m -59.35 133.02 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.983 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -82.3 53.69 2.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.414 0.626 . . . . 0.0 110.764 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.432 ' HD1' ' O ' ' A' ' 38' ' ' ARG . 6.1 t-105 -163.18 -157.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 28.4 m -71.93 132.42 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-O 120.958 0.408 . . . . 0.0 110.957 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 p -61.1 137.78 94.19 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.601 ' HB3' ' HB2' ' A' ' 34' ' ' CYS . 19.5 Cg_endo -61.55 -42.39 33.55 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.48 2.12 . . . . 0.0 112.235 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.8 p30 34.84 58.9 0.71 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.138 0.975 . . . . 0.0 112.981 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.564 ' HB3' ' HB2' ' A' ' 33' ' ' TYR . 9.9 p-10 -49.53 -34.8 18.34 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.299 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 m -52.0 -28.17 16.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.97 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.7 mt -120.69 -48.09 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.495 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.92 -48.71 75.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.297 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.478 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -66.53 -36.89 83.81 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.547 0.213 . . . . 0.0 110.708 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.08 -41.74 88.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.306 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.453 ' O ' ' HB2' ' A' ' 26' ' ' ALA . 77.6 t60 -65.7 -38.01 88.04 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.538 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 85.7 m -60.31 -44.14 95.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.886 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.44 HG13 ' O ' ' A' ' 21' ' ' ALA . 88.5 mt -57.64 -33.66 45.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.936 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 23' ' ' HIS . . . -60.41 -28.76 68.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.206 179.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -111.25 38.87 2.43 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 60.62 27.02 16.72 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.538 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 82.3 m-85 -103.98 155.81 18.36 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.444 ' HD2' ' N ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -71.92 -51.01 24.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 155.03 137.68 2.44 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.424 -0.894 . . . . 0.0 112.61 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.33 -83.2 0.18 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.004 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.564 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . 18.0 t80 53.29 45.36 28.64 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.331 0.586 . . . . 0.0 110.537 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.601 ' HB2' ' HB3' ' A' ' 15' ' ' PRO . 8.7 t 64.58 116.55 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.769 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.631 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 2.5 m120 -80.59 -154.69 0.1 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.08 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.482 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -62.98 -42.97 99.55 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.695 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -76.96 -84.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.824 0.312 . . . . 0.0 110.24 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.569 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 1.6 ppt_? -173.49 14.22 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.515 HG22 ' HD2' ' A' ' 38' ' ' ARG . 19.2 t -106.3 142.58 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.2 t -81.89 51.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 111.044 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.631 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 61.9 t -67.13 133.77 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 64.1 m -70.61 132.15 45.03 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.063 0.459 . . . . 0.0 110.848 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.939 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.936 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.586 ' O ' HG21 ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.586 HG21 ' O ' ' A' ' 1' ' ' ALA . 13.2 t 43.06 -148.48 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 O-C-N 124.214 0.946 . . . . 0.0 111.992 -179.194 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.837 ' HA ' ' HB3' ' A' ' 34' ' ' CYS . 66.5 m -77.44 -45.24 26.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.29 -0.256 . . . . 0.0 111.52 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.459 ' HB2' ' CG ' ' A' ' 38' ' ' ARG . 30.5 t70 -149.79 161.7 41.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.515 0.198 . . . . 0.0 110.603 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.76 -33.14 75.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.487 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.38 -30.19 70.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.219 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.7 m -74.39 128.94 36.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.155 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.74 5.81 0.09 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.308 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -79.1 101.33 7.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.532 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 16.4 m 58.34 -140.81 0.74 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 119.073 -0.489 . . . . 0.0 109.863 -178.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.532 ' HG2' ' O ' ' A' ' 10' ' ' SER . 2.4 pt20 54.37 122.93 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.891 1.276 . . . . 0.0 113.168 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.421 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 7.0 t-105 -67.96 145.66 54.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.274 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 13' ' ' VAL . 13.4 p -73.53 47.01 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-O 121.916 0.865 . . . . 0.0 112.265 -178.639 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.1 p -136.4 137.83 25.3 Favored Pre-proline 0 C--N 1.321 -0.631 0 O-C-N 121.743 -0.598 . . . . 0.0 110.581 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.43 ' C ' ' H ' ' A' ' 17' ' ' ASP . 48.4 Cg_exo -56.76 -42.86 60.31 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.714 2.276 . . . . 0.0 111.9 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 71.55 -45.98 0.63 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.428 0.691 . . . . 0.0 110.809 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.56 ' HB3' ' CB ' ' A' ' 21' ' ' ALA . 64.0 m-20 61.13 42.24 12.6 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.853 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.624 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -66.26 118.96 10.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.677 -179.693 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.624 ' HG ' ' O ' ' A' ' 18' ' ' SER . 4.3 pp 56.4 -38.99 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 126.144 1.778 . . . . 0.0 115.033 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.478 ' N ' HD11 ' A' ' 19' ' ' LEU . 51.0 t -60.8 -38.97 87.16 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 122.435 0.294 . . . . 0.0 111.33 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.56 ' CB ' ' HB3' ' A' ' 17' ' ' ASP . . . -62.3 -37.26 84.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.852 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.9 77.22 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.819 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -64.2 -40.98 97.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.4 m -64.99 -48.3 74.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.93 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.27 -37.7 74.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.974 0.416 . . . . 0.0 110.457 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.88 -19.77 64.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.408 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.48 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 4.6 mmp_? -113.56 28.19 8.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.096 0.474 . . . . 0.0 110.723 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 60.29 47.71 8.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.384 -0.826 . . . . 0.0 113.102 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -125.04 152.77 43.84 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -67.04 -44.89 79.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.321 0.582 . . . . 0.0 109.913 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.3 137.59 9.52 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.366 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.38 115.01 0.63 Allowed Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.304 -0.951 . . . . 0.0 112.717 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.4 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 62.2 t80 -75.64 132.84 40.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.753 -0.224 . . . . 0.0 110.705 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.837 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 14.0 m 46.43 79.92 0.05 Allowed 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.67 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 7.1 m120 -75.63 -153.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.05 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.406 ' O ' ' HD3' ' A' ' 38' ' ' ARG . . . -62.95 -26.23 68.75 Favored Glycine 0 N--CA 1.452 -0.248 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -76.47 4.55 8.9 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.459 ' CG ' ' HB2' ' A' ' 4' ' ' ASP . 1.0 OUTLIER 65.77 11.78 7.84 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.075 0.55 . . . . 0.0 111.575 -179.702 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.483 HG12 ' N ' ' A' ' 40' ' ' CYS . 21.7 t -137.28 152.77 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.483 ' N ' HG12 ' A' ' 39' ' ' VAL . 34.3 t -64.25 120.63 12.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.299 0.571 . . . . 0.0 110.42 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.67 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 60.2 t -130.12 141.19 46.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.148 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 89.6 m -74.73 123.66 25.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.309 0.576 . . . . 0.0 111.255 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.0 ptm85 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.339 -0.846 . . . . 0.0 108.732 179.753 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.659 0.266 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.7 t -170.71 -41.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.618 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 88.5 m -153.55 157.38 39.66 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 -179.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 11.7 t70 -59.92 142.31 53.91 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.463 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 96.3 mt 76.55 -41.29 0.4 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.45 0.7 . . . . 0.0 110.371 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.673 ' HA ' ' HB2' ' A' ' 12' ' ' TRP . . . -67.36 -19.44 65.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.448 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 m -57.35 -36.65 71.45 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.38 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.417 ' HB2' ' NE2' ' A' ' 11' ' ' GLN . 15.7 m-85 -72.46 136.39 45.97 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.62 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 p -67.77 133.02 48.51 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.7 t 59.36 65.12 1.22 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.33 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.612 ' HG2' ' HD1' ' A' ' 12' ' ' TRP . 8.0 tt0 -149.76 -50.38 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.98 0.419 . . . . 0.0 111.091 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.673 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . 24.0 m95 -126.65 49.06 2.08 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.151 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -76.92 -38.24 28.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -75.3 139.78 72.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.995 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.82 -18.64 57.6 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.668 2.245 . . . . 0.0 111.721 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 73.77 -46.1 0.62 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.81 0.844 . . . . 0.0 110.976 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 56.08 49.57 15.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.024 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.7 p -68.24 -48.34 65.35 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.475 HD22 ' N ' ' A' ' 19' ' ' LEU . 2.6 pt? -153.33 -39.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.577 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.44 ' HB2' ' HD1' ' A' ' 33' ' ' TYR . 93.9 m -57.73 -42.39 83.78 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.11 82.04 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.59 -41.48 81.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.949 0.404 . . . . 0.0 110.566 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -63.34 -37.98 89.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.287 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 29' ' ' TYR . 59.9 m -68.36 -51.36 45.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.773 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.3 mt -56.94 -32.79 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.064 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.18 -34.49 66.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.24 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.427 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 79.0 mtp180 -103.16 31.64 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.268 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 61.88 28.07 17.13 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.467 ' HB2' ' O ' ' A' ' 24' ' ' CYS . 34.3 m-85 -84.72 165.19 18.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -69.65 -45.02 69.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.324 0.583 . . . . 0.0 109.574 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.36 142.45 4.9 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.519 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.21 140.93 6.79 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.874 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.443 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 38.9 t80 -122.46 -43.23 2.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.837 0.351 . . . . 0.0 110.943 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.7 t -156.99 120.22 4.11 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.089 0.471 . . . . 0.0 109.839 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -105.45 -169.17 1.56 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.806 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.84 -26.04 59.95 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.426 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -77.83 -4.39 46.33 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.038 0.535 . . . . 0.0 111.526 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 62.11 40.91 11.43 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.283 0.563 . . . . 0.0 110.401 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 40' ' ' CYS . 67.6 t -139.85 150.61 21.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.562 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.553 ' N ' HG13 ' A' ' 39' ' ' VAL . 66.3 m -71.55 52.87 0.21 Allowed 'General case' 0 CA--C 1.531 0.215 0 O-C-N 123.592 0.558 . . . . 0.0 111.348 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.72 127.75 27.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.4 m -75.5 115.98 15.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.882 0.849 . . . . 0.0 111.554 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 . . . . . 0 C--O 1.245 0.86 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.228 179.357 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.886 0.374 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.447 ' HB ' ' H ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER -75.19 -130.13 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.105 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.447 ' H ' ' HB ' ' A' ' 2' ' ' THR . 59.5 m -66.13 -38.96 89.44 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.543 0.687 . . . . 0.0 109.269 179.224 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -75.37 129.82 38.0 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.706 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.5 tp -158.24 -45.63 0.06 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.61 90.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.536 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -96.03 123.38 39.61 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.629 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -87.35 -30.16 21.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.951 0.405 . . . . 0.0 110.723 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m 54.57 -139.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.058 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.5 t -178.69 121.69 0.09 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 55.58 61.39 2.86 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.066 0.46 . . . . 0.0 109.771 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 -74.6 61.18 0.94 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.236 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 m -87.69 136.72 22.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.818 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.0 m 74.82 135.01 0.05 OUTLIER Pre-proline 0 CA--C 1.532 0.267 0 O-C-N 123.561 0.538 . . . . 0.0 110.478 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -51.01 -33.54 42.97 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.79 2.326 . . . . 0.0 112.559 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m120 53.25 45.81 27.76 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.499 0.666 . . . . 0.0 111.366 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.41 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . 26.2 t70 -102.71 -51.11 3.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.192 179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.5 t 68.99 -51.74 0.59 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.17 -66.42 0.57 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 t -67.76 -35.94 79.61 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.485 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -59.98 -32.81 71.19 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.443 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.65 73.1 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.084 0.468 . . . . 0.0 110.755 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -59.5 -39.08 82.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.641 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.9 m -73.78 -48.78 29.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.601 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.485 HG13 ' O ' ' A' ' 21' ' ' ALA . 87.3 mt -54.05 -43.79 60.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 122.698 0.399 . . . . 0.0 111.331 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.91 71.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.942 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.422 HH11 ' HG3' ' A' ' 27' ' ' ARG . 37.6 mtt85 -92.09 30.75 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.145 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 66.21 12.34 8.49 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 92.2 m-85 -89.57 160.46 16.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.946 -0.471 . . . . 0.0 110.388 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -72.8 -48.38 38.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.927 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.87 -146.33 7.8 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.63 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.64 55.75 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.715 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -58.02 -52.77 64.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.105 0.478 . . . . 0.0 110.484 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.5 t -171.5 124.15 0.57 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.481 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 1.9 m120 -99.66 -174.77 2.8 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.757 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.84 -25.71 56.6 Favored Glycine 0 C--N 1.33 0.206 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.663 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -72.8 6.4 2.57 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.513 0.325 . . . . 0.0 111.217 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.438 ' NH1' ' HA ' ' A' ' 3' ' ' CYS . 33.8 mmt180 59.91 36.4 21.78 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.202 0.525 . . . . 0.0 110.672 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.1 p -159.47 158.94 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.85 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.9 t -66.91 118.11 9.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.295 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.481 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 46.5 t -137.43 132.2 45.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 84.8 m -67.59 133.66 49.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.437 0.637 . . . . 0.0 112.133 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 . . . . . 0 C--O 1.245 0.83 0 CA-C-O 117.77 -1.11 . . . . 0.0 108.828 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.785 0.326 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.564 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 75.8 p 50.88 -150.64 0.25 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.687 0.795 . . . . 0.0 112.416 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.423 ' HB2' ' HD2' ' A' ' 38' ' ' ARG . 8.4 t 179.58 -42.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.811 ' HB2' ' HA ' ' A' ' 35' ' ' ASN . 51.1 t0 -61.13 137.13 58.24 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.739 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.402 ' HA ' ' CE1' ' A' ' 8' ' ' PHE . 43.5 tp 71.55 -42.44 0.53 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.697 0.799 . . . . 0.0 111.799 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.43 -42.84 74.45 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.5 t -65.8 -63.56 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.7 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.402 ' CE1' ' HA ' ' A' ' 5' ' ' LEU . 16.4 p90 -77.14 142.75 39.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.878 0.37 . . . . 0.0 111.601 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -163.76 53.54 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.311 0.577 . . . . 0.0 109.624 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -175.35 -152.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.041 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -80.56 58.48 3.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.47 0.652 . . . . 0.0 110.536 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -83.5 63.37 7.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.286 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.15 121.65 6.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.226 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.9 p 61.59 144.28 0.06 OUTLIER Pre-proline 0 CA--C 1.536 0.426 0 C-N-CA 124.518 1.127 . . . . 0.0 112.059 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.886 ' HG2' ' HA3' ' A' ' 31' ' ' GLY . 74.2 Cg_exo -52.43 120.2 7.04 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.819 2.346 . . . . 0.0 112.531 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -72.93 30.65 0.06 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.177 0.513 . . . . 0.0 111.548 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' A' ' 15' ' ' PRO . 23.7 t70 -91.84 -46.04 8.07 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.74 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.0 p 61.44 -55.31 0.11 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 19' ' ' LEU . 83.1 mt -69.99 -69.35 0.36 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.45 0.568 . . . . 0.0 112.392 -178.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.491 ' HB3' ' OD2' ' A' ' 17' ' ' ASP . 15.5 t -60.08 -37.46 79.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.49 0.662 . . . . 0.0 109.309 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.534 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -58.63 -33.5 70.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.735 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.66 -43.16 76.01 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 111.579 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -68.63 -35.34 77.17 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.5 m -66.78 -38.13 85.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.896 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 21' ' ' ALA . 88.6 mt -59.26 -35.45 58.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.33 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.17 -33.5 73.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.176 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.499 ' HB2' ' HD2' ' A' ' 29' ' ' TYR . 69.0 mtt-85 -87.31 28.16 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.19 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 20.7 ptt-85 52.19 28.83 5.87 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.641 1.177 . . . . 0.0 112.776 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.499 ' HD2' ' HB2' ' A' ' 27' ' ' ARG . 44.1 m-85 -96.22 157.96 15.66 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -64.18 -40.62 96.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.292 0.568 . . . . 0.0 109.766 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.886 ' HA3' ' HG2' ' A' ' 15' ' ' PRO . . . 177.2 -145.14 7.09 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.418 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.01 36.88 0.56 Allowed Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.43 -0.891 . . . . 0.0 111.912 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.742 ' HB2' ' HB3' ' A' ' 15' ' ' PRO . 11.6 t80 -64.23 128.25 34.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -18.33 119.18 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 O-C-N 125.025 1.453 . . . . 0.0 113.279 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.811 ' HA ' ' HB2' ' A' ' 4' ' ' ASP . 1.7 m120 -92.99 -150.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.727 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.564 ' O ' ' HA ' ' A' ' 2' ' ' THR . . . -68.06 -34.88 82.63 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.445 ' C ' ' H ' ' A' ' 39' ' ' VAL . 20.8 tptm -69.41 -3.07 12.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.042 -0.579 . . . . 0.0 111.214 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.423 ' HD2' ' HB2' ' A' ' 3' ' ' CYS . 25.9 tpt180 75.19 -24.44 0.22 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.624 0.77 . . . . 0.0 111.585 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG22 ' N ' ' A' ' 40' ' ' CYS . 8.2 p -88.26 158.3 3.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.345 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.476 ' N ' HG22 ' A' ' 39' ' ' VAL . 4.9 t -61.72 124.09 19.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.094 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.435 ' HB ' ' CG ' ' A' ' 35' ' ' ASN . 77.1 t -137.21 125.05 32.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 61.8 m -64.25 126.2 26.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.455 -178.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 117.955 -1.022 . . . . 0.0 108.936 179.326 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.638 ' HB2' ' HB2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.22 -48.86 75.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.725 0.298 . . . . 0.0 111.387 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.5 m -112.87 -52.3 2.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.942 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.638 ' HB2' ' HB2' ' A' ' 1' ' ' ALA . 7.4 t70 56.94 -138.48 0.96 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.5 mt -124.58 -112.97 0.3 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 119.736 -0.173 . . . . 0.0 110.585 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 67.12 -70.5 0.11 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.308 0.643 . . . . 0.0 110.384 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 t -88.67 152.06 22.05 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 63.24 41.92 7.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.211 0.529 . . . . 0.0 110.271 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 p -70.57 129.98 40.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.413 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.3 m 55.93 47.23 20.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.276 0.56 . . . . 0.0 110.264 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -139.57 -131.99 0.12 Allowed 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.775 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.9 m95 -134.94 131.78 37.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.256 0.551 . . . . 0.0 111.24 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.467 HG22 ' NE ' ' A' ' 38' ' ' ARG . 15.0 p -169.56 44.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.749 1.261 . . . . 0.0 108.043 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 42.2 p -60.15 121.87 62.37 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 113.904 -1.498 . . . . 0.0 111.905 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.601 ' HB2' ' HD1' ' A' ' 33' ' ' TYR . 39.1 Cg_endo -66.42 143.46 69.74 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.237 1.958 . . . . 0.0 111.413 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.86 ' HB2' ' H ' ' A' ' 33' ' ' TYR . 5.1 m120 -72.31 37.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.684 ' HB2' ' HB2' ' A' ' 33' ' ' TYR . 38.4 t70 -124.02 -41.13 2.23 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 m -76.24 -58.48 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.279 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 pp -127.07 -37.82 2.05 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.66 ' CB ' ' HA ' ' A' ' 16' ' ' ASN . 0.6 OUTLIER -66.69 -6.39 15.47 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.096 0.474 . . . . 0.0 110.494 179.099 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.15 82.49 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.333 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' O ' ' HB1' ' A' ' 26' ' ' ALA . . . -54.25 -48.05 71.58 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.851 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -58.48 -42.57 87.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.019 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.526 ' SG ' ' HB3' ' A' ' 16' ' ' ASN . 80.1 m -68.06 -58.94 3.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.345 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.51 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 87.4 mt -54.9 -37.52 41.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.934 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' HB1' ' O ' ' A' ' 22' ' ' ALA . . . -60.66 -35.07 75.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.54 179.273 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.9 mtt85 -97.84 31.12 2.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.822 0.344 . . . . 0.0 111.803 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 65.33 29.48 11.52 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.51 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 56.4 m-85 -104.56 159.38 15.8 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -82.42 -44.11 16.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.108 0.48 . . . . 0.0 110.363 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.418 ' O ' ' HB2' ' A' ' 43' ' ' ARG . . . 149.58 128.0 1.59 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.758 ' HA2' ' HG3' ' A' ' 43' ' ' ARG . . . -74.39 -46.4 20.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 114.007 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.86 ' H ' ' HB2' ' A' ' 16' ' ' ASN . 36.9 t80 55.14 43.04 30.13 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.752 0.787 . . . . 0.0 110.171 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.7 t 67.96 133.41 0.03 OUTLIER 'General case' 0 C--N 1.34 0.194 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.599 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -119.73 -168.25 1.56 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.655 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.75 -38.09 80.94 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 113.394 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -69.42 -8.1 43.64 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.467 ' NE ' HG22 ' A' ' 13' ' ' VAL . 8.5 tpt180 62.26 36.53 14.7 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.876 0.846 . . . . 0.0 109.815 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.435 HG13 ' H ' ' A' ' 40' ' ' CYS . 23.0 t -129.11 165.36 29.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.484 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.484 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 1.8 m -70.44 61.82 0.23 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.881 0.372 . . . . 0.0 111.422 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.69 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 22.5 t -83.86 131.08 34.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 95.6 m -87.11 136.26 32.99 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.758 ' HG3' ' HA2' ' A' ' 32' ' ' GLY . 77.6 mtm180 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.128 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.765 ' HB ' ' HG2' ' A' ' 38' ' ' ARG . 9.4 m -58.65 130.27 46.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.175 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.8 t -159.71 140.67 12.44 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.431 ' OD2' ' HB1' ' A' ' 6' ' ' ALA . 1.8 p-10 -58.83 134.84 57.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.348 0.594 . . . . 0.0 110.784 -178.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.433 HD11 ' HB2' ' A' ' 8' ' ' PHE . 20.9 tp -102.55 49.24 0.85 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.642 -178.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.431 ' HB1' ' OD2' ' A' ' 4' ' ' ASP . . . -62.54 -46.48 88.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.527 0.68 . . . . 0.0 109.572 179.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.5 t -122.22 -126.48 0.26 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.652 ' HA ' ' HG3' ' A' ' 11' ' ' GLN . 2.0 m-85 61.02 30.86 19.82 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.397 0.436 . . . . 0.0 111.505 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.5 m -65.37 -36.77 85.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.422 0.63 . . . . 0.0 110.162 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.3 m -143.8 44.89 1.48 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.652 ' HG3' ' HA ' ' A' ' 8' ' ' PHE . 18.7 pt20 -165.45 56.13 0.11 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.3 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -69.53 143.89 53.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.927 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.1 t 55.28 54.02 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 111.11 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.457 HG21 ' HB2' ' A' ' 11' ' ' GLN . 5.0 p -110.14 142.23 25.5 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.605 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.53 ' C ' ' H ' ' A' ' 17' ' ' ASP . 20.0 Cg_exo -67.39 -160.01 0.05 OUTLIER 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.993 2.462 . . . . 0.0 112.691 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.772 ' HA ' ' HB1' ' A' ' 21' ' ' ALA . 51.0 t30 69.57 -27.05 0.15 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.862 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.81 ' HB2' ' HA ' ' A' ' 33' ' ' TYR . 44.8 t0 57.39 40.34 27.52 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.8 t 70.44 -41.97 0.51 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 114.177 -1.374 . . . . 0.0 112.632 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.49 ' N ' HD21 ' A' ' 19' ' ' LEU . 2.4 pt? -161.39 -27.53 0.05 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -179.097 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 t -51.76 -32.28 30.16 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.772 ' HB1' ' HA ' ' A' ' 16' ' ' ASN . . . -57.13 -30.08 64.11 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.366 0.135 . . . . 0.0 111.366 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.99 -40.63 73.61 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.856 0.36 . . . . 0.0 110.785 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -64.01 -39.17 93.5 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.618 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 72.8 m -66.95 -44.47 80.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.316 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 21' ' ' ALA . 88.0 mt -58.02 -35.44 52.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.902 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.07 -39.94 79.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.285 0.564 . . . . 0.0 109.988 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -92.3 16.46 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.528 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 64.9 35.22 8.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.618 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 35.8 m-85 -97.99 153.5 18.34 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 176.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -63.15 -44.6 95.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.249 0.547 . . . . 0.0 110.778 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.533 ' O ' ' HA ' ' A' ' 42' ' ' CYS . . . 172.84 -145.2 8.31 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.2 45.85 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 119.699 -1.239 . . . . 0.0 113.374 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.81 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 29.9 p90 -65.17 130.34 42.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.644 0.222 . . . . 0.0 110.449 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -1.53 98.45 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 O-C-N 125.167 1.542 . . . . 0.0 113.857 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.572 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 2.3 m120 -79.28 -156.32 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.094 -178.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.422 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -60.47 -39.59 96.54 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.858 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.416 ' HB3' HG11 ' A' ' 39' ' ' VAL . 28.2 tptp -73.75 3.96 5.79 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.182 0.515 . . . . 0.0 110.431 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.765 ' HG2' ' HB ' ' A' ' 2' ' ' THR . 1.9 mpp_? 60.45 37.53 19.79 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.8 0.81 . . . . 0.0 110.16 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.416 HG11 ' HB3' ' A' ' 37' ' ' LYS . 9.8 p -143.32 153.94 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.356 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.9 t -66.07 122.18 16.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.985 0.422 . . . . 0.0 110.596 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.572 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 65.1 t -136.3 115.41 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.533 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 77.0 m -61.2 118.33 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.092 0.472 . . . . 0.0 110.883 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.443 ' HD3' ' OD1' ' A' ' 35' ' ' ASN . 17.4 mmm180 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.628 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.492 0.187 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.945 ' HA ' HG21 ' A' ' 13' ' ' VAL . 23.7 m 72.08 124.34 0.03 OUTLIER 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.988 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.43 ' HB3' ' O ' ' A' ' 38' ' ' ARG . 19.1 m -69.9 122.09 18.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.668 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.2 t0 53.88 69.48 0.71 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.856 0.723 . . . . 0.0 112.177 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.592 HD22 ' HB ' ' A' ' 2' ' ' THR . 19.9 mt -57.98 109.49 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.992 0.425 . . . . 0.0 110.56 179.34 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -175.82 72.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.79 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.444 ' O ' ' HB3' ' A' ' 8' ' ' PHE . 72.7 m 64.03 -142.7 0.3 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.498 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.444 ' HB3' ' O ' ' A' ' 7' ' ' SER . 28.3 t80 69.76 127.63 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.174 0.512 . . . . 0.0 111.079 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 m -64.01 116.01 5.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.371 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t -84.43 127.54 34.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -116.21 39.58 3.06 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 69.84 107.27 0.06 Allowed 'General case' 0 C--O 1.233 0.209 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.707 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.945 HG21 ' HA ' ' A' ' 2' ' ' THR . 81.9 t -66.02 128.45 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.769 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.56 ' O ' ' HB3' ' A' ' 18' ' ' SER . 22.1 m -148.77 121.55 4.5 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.959 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.545 ' HA ' ' HB3' ' A' ' 33' ' ' TYR . 80.1 Cg_endo -76.85 -145.77 0.03 OUTLIER 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.27 2.647 . . . . 0.0 112.889 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.581 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 1.2 t-20 66.45 -67.35 0.16 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.671 0.788 . . . . 0.0 112.062 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 56.9 p-10 -173.79 28.2 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.097 0.475 . . . . 0.0 111.914 -179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.56 ' HB3' ' O ' ' A' ' 14' ' ' THR . 43.6 t -79.6 116.35 19.75 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.904 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.9 mt 64.64 -53.66 0.29 Allowed 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.482 ' HB3' ' HA ' ' A' ' 33' ' ' TYR . 48.9 t -58.12 -40.35 81.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.857 0.36 . . . . 0.0 110.81 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -57.03 -36.07 70.01 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.798 179.705 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.54 -43.57 80.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.904 0.383 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -71.34 -37.01 71.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.7 m -65.42 -46.67 79.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.998 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.69 -36.75 72.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.42 -40.1 89.82 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.727 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.8 mmt-85 -84.7 17.12 2.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.035 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 64.52 29.48 13.22 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -92.75 -168.54 1.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -89.47 -57.25 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.89 0.376 . . . . 0.0 110.068 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.94 148.04 5.51 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.436 -0.888 . . . . 0.0 113.023 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.581 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 177.93 -150.94 10.26 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.545 ' HB3' ' HA ' ' A' ' 15' ' ' PRO . 10.5 t80 -150.43 -129.26 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.583 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 56.6 m -78.36 109.83 12.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.161 0.505 . . . . 0.0 110.488 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.503 ' HB2' ' HB ' ' A' ' 41' ' ' VAL . 18.9 m-80 -87.94 -147.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.384 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -58.32 -30.78 65.04 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.311 -0.471 . . . . 0.0 112.518 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -67.71 -13.14 61.85 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.456 ' C ' HG23 ' A' ' 39' ' ' VAL . 0.5 OUTLIER 65.0 32.38 10.53 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.384 0.611 . . . . 0.0 110.397 -178.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.583 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 29.7 t -151.64 159.74 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.439 ' H ' HG13 ' A' ' 39' ' ' VAL . 8.0 t -51.47 111.28 0.56 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.067 0.461 . . . . 0.0 110.313 179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.503 ' HB ' ' HB2' ' A' ' 35' ' ' ASN . 54.6 t -126.25 128.48 71.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.825 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.1 m -83.12 139.31 33.27 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.339 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.099 -179.312 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.5 p 49.06 56.94 7.02 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.019 0.527 . . . . 0.0 111.985 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.8 m 61.68 44.25 9.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 36.02 66.92 0.33 Allowed 'General case' 0 N--CA 1.472 0.652 0 O-C-N 124.174 0.921 . . . . 0.0 112.708 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.88 -41.84 97.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.123 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.85 126.74 32.24 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.3 p 53.87 79.44 0.13 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.862 0.726 . . . . 0.0 111.061 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -49.91 117.71 2.46 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.273 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 m -125.72 -44.39 1.81 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.618 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.0 m -68.47 84.08 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.29 0.567 . . . . 0.0 111.796 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -163.29 36.3 0.09 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.373 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -89.76 -159.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.05 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 p -73.2 112.88 10.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.424 ' CG2' ' HD2' ' A' ' 15' ' ' PRO . 1.3 m 71.13 144.72 0.11 Allowed Pre-proline 0 N--CA 1.467 0.408 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -177.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.508 ' HB2' ' OD1' ' A' ' 17' ' ' ASP . 81.6 Cg_exo -45.75 143.94 6.0 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.201 1.934 . . . . 0.0 111.535 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -57.04 -18.42 14.03 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.506 0.67 . . . . 0.0 110.032 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.713 ' HB3' ' HB3' ' A' ' 21' ' ' ALA . 88.6 m-20 44.79 41.93 5.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.301 -1.318 . . . . 0.0 113.397 177.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.3 t -78.2 118.6 20.58 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt 69.59 -48.31 0.61 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.781 0.832 . . . . 0.0 112.087 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 82.8 m -56.43 -37.8 70.72 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 122.505 0.322 . . . . 0.0 111.494 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.713 ' HB3' ' HB3' ' A' ' 17' ' ' ASP . . . -54.49 -44.33 72.55 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.247 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.28 -49.74 73.37 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.639 0.257 . . . . 0.0 111.491 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.437 ' O ' ' HB1' ' A' ' 26' ' ' ALA . 84.0 t60 -64.39 -42.02 96.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.118 0.485 . . . . 0.0 110.588 179.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.543 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 82.5 m -65.21 -48.68 72.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.248 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.39 -33.99 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.0 0.428 . . . . 0.0 110.293 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.437 ' HB1' ' O ' ' A' ' 23' ' ' HIS . . . -57.47 -31.06 65.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.05 178.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -109.94 28.46 8.57 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.58 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 63.41 37.79 10.49 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.543 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 79.8 m-85 -107.33 153.2 23.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.123 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -68.9 -45.58 70.55 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.68 -148.81 9.24 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.05 52.75 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 119.423 -1.37 . . . . 0.0 114.054 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.665 ' HB2' ' HA ' ' A' ' 17' ' ' ASP . 41.1 t80 -83.16 121.44 27.07 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.414 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.435 ' HA ' ' C ' ' A' ' 39' ' ' VAL . 83.4 m 38.17 84.04 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 O-C-N 124.246 0.966 . . . . 0.0 113.352 178.2 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -71.23 -158.64 0.04 OUTLIER 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.026 0.441 . . . . 0.0 111.375 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.63 -35.46 81.04 Favored Glycine 0 C--N 1.33 0.209 0 CA-C-N 116.084 -0.507 . . . . 0.0 113.27 -179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.421 ' NZ ' ' HB3' ' A' ' 37' ' ' LYS . 3.6 mmmp? -74.15 15.04 0.35 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 54.39 36.3 25.13 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.1 0.476 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.435 ' C ' ' HA ' ' A' ' 34' ' ' CYS . 9.6 p -149.21 150.02 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.722 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -63.16 120.68 11.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.72 0.295 . . . . 0.0 110.838 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.415 HG23 HG12 ' A' ' 39' ' ' VAL . 59.4 t -145.66 126.01 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 97.4 m -67.82 139.22 56.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.953 0.406 . . . . 0.0 111.147 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.692 -0.671 . . . . 0.0 110.397 -179.413 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.71 0.29 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.7 p -64.18 -41.05 97.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.741 -179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -73.52 53.5 0.42 Allowed 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -160.08 53.95 0.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.445 ' H ' ' HE2' ' A' ' 8' ' ' PHE . 55.0 mt 54.18 33.0 17.03 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.369 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -101.83 46.33 0.94 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.65 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.3 t 61.5 51.2 4.19 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.671 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . 0.75 ' HE1' ' HA ' ' A' ' 11' ' ' GLN . 6.9 p90 -84.38 152.15 24.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.186 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 t -63.12 141.23 58.84 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.9 p 51.92 -126.06 2.38 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.026 0.53 . . . . 0.0 111.452 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.75 ' HA ' ' HE1' ' A' ' 8' ' ' PHE . 18.6 pt20 -173.23 134.96 0.55 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.059 0.457 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.635 ' HH2' ' HA2' ' A' ' 36' ' ' GLY . 22.6 t-105 67.76 135.67 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.729 -1.123 . . . . 0.0 113.105 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.465 HG11 ' O ' ' A' ' 12' ' ' TRP . 9.5 p 40.92 43.88 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 124.547 1.139 . . . . 0.0 112.463 178.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.0 m -102.36 125.59 35.79 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.945 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.71 ' HA ' ' HB3' ' A' ' 33' ' ' TYR . 72.4 Cg_endo -74.6 50.92 2.5 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.099 2.532 . . . . 0.0 112.643 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.54 21.69 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.173 0.511 . . . . 0.0 110.245 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -76.91 -43.1 36.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.941 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 t 69.42 -51.85 0.61 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.047 0.939 . . . . 0.0 113.252 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.4 mt -68.76 -53.77 19.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.0 -43.34 99.04 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.47 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -55.02 -45.62 75.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.441 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.51 -42.23 82.38 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.219 0.533 . . . . 0.0 110.623 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -64.78 -46.35 82.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.886 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.696 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 74.0 m -64.99 -45.64 84.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.819 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 21' ' ' ALA . 82.2 mt -55.2 -36.39 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 111.042 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.515 ' HB1' ' NH1' ' A' ' 27' ' ' ARG . . . -57.37 -35.65 70.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 179.338 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.515 ' NH1' ' HB1' ' A' ' 26' ' ' ALA . 1.3 mpt_? -93.86 28.12 2.51 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.484 179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 65.39 38.88 5.49 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -109.34 152.93 24.64 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -66.69 -48.08 70.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.73 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.53 122.4 0.68 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.696 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -86.16 51.89 4.46 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.305 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . 0.71 ' HB3' ' HA ' ' A' ' 15' ' ' PRO . 4.1 p90 -65.55 157.76 28.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.88 0.34 . . . . 0.0 110.518 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 97.2 m -53.84 123.24 11.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.393 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.435 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 5.4 m120 -77.65 -150.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.322 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.635 ' HA2' ' HH2' ' A' ' 12' ' ' TRP . . . -79.54 -37.33 23.97 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.918 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 9.4 mtpm? -78.49 28.33 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.73 44.4 27.78 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 111.139 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 93.3 t -142.32 129.32 19.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.583 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 13.8 p -78.09 123.18 26.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.435 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 94.1 t -132.48 130.95 60.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.8 m -58.06 121.8 11.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.375 0.607 . . . . 0.0 111.331 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.453 ' HD3' ' CE1' ' A' ' 33' ' ' TYR . 14.5 ptm180 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.988 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.7 mt . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.602 0.239 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.92 -48.71 75.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.297 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -66.53 -36.89 83.81 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.547 0.213 . . . . 0.0 110.708 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.08 -41.74 88.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.306 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -65.7 -38.01 88.04 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.573 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 85.7 m -60.31 -44.14 95.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.886 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 21' ' ' ALA . 88.5 mt -57.64 -33.66 45.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.936 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.76 68.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.206 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -111.25 38.87 2.43 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 60.62 27.02 16.72 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.573 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 82.3 m-85 -103.98 155.81 18.36 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' HD2' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -71.92 -51.01 24.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 155.03 137.68 2.44 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.424 -0.894 . . . . 0.0 112.61 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.33 -83.2 0.18 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.004 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.0 t80 53.29 45.36 28.64 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.331 0.586 . . . . 0.0 110.537 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' A' ' 38' ' ' ARG . 8.7 t 64.58 116.55 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.769 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.642 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 2.5 m120 -80.59 -154.69 0.1 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.08 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -62.98 -42.97 99.55 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.695 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -76.96 -84.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.824 0.312 . . . . 0.0 110.24 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.58 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 1.6 ppt_? -173.49 14.22 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.2 t -106.3 142.58 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.2 t -81.89 51.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 111.044 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.642 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 61.9 t -67.13 133.77 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 64.1 m -70.61 132.15 45.03 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.063 0.459 . . . . 0.0 110.848 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.939 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.936 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 20' ' ' CYS . 4.3 pp . . . . . 0 N--CA 1.487 1.416 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.502 ' N ' HD12 ' A' ' 19' ' ' LEU . 51.0 t -60.8 -38.97 87.16 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 122.435 0.294 . . . . 0.0 111.33 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.26 84.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.852 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.9 77.22 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.819 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -64.2 -40.98 97.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.4 m -64.99 -48.3 74.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.93 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.27 -37.7 74.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.974 0.416 . . . . 0.0 110.457 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.88 -19.77 64.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.408 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.482 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 4.6 mmp_? -113.56 28.19 8.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.096 0.474 . . . . 0.0 110.723 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 60.29 47.71 8.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.384 -0.826 . . . . 0.0 113.102 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -125.04 152.77 43.84 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -67.04 -44.89 79.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.321 0.582 . . . . 0.0 109.913 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.3 137.59 9.52 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.366 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.38 115.01 0.63 Allowed Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.304 -0.951 . . . . 0.0 112.717 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.407 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 62.2 t80 -75.64 132.84 40.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.753 -0.224 . . . . 0.0 110.705 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.439 ' HA ' ' C ' ' A' ' 39' ' ' VAL . 14.0 m 46.43 79.92 0.05 Allowed 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.682 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 7.1 m120 -75.63 -153.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.05 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.427 ' O ' ' HD3' ' A' ' 38' ' ' ARG . . . -62.95 -26.23 68.75 Favored Glycine 0 N--CA 1.452 -0.248 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -76.47 4.55 8.9 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 1.0 OUTLIER 65.77 11.78 7.84 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.075 0.55 . . . . 0.0 111.575 -179.702 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.439 ' C ' ' HA ' ' A' ' 34' ' ' CYS . 21.7 t -137.28 152.77 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.411 ' HA ' ' H ' ' A' ' 34' ' ' CYS . 34.3 t -64.25 120.63 12.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.299 0.571 . . . . 0.0 110.42 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.682 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 60.2 t -130.12 141.19 46.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.148 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 89.6 m -74.73 123.66 25.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.309 0.576 . . . . 0.0 111.255 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.0 ptm85 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.339 -0.846 . . . . 0.0 108.732 179.753 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 20' ' ' CYS . 2.6 pt? . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 120.592 0.234 . . . . 0.0 111.577 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.435 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 93.9 m -57.73 -42.39 83.78 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.11 82.04 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.59 -41.48 81.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.949 0.404 . . . . 0.0 110.566 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -63.34 -37.98 89.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.287 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 29' ' ' TYR . 59.9 m -68.36 -51.36 45.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.773 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.3 mt -56.94 -32.79 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.064 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.18 -34.49 66.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.24 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 79.0 mtp180 -103.16 31.64 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.268 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 61.88 28.07 17.13 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.463 ' HB2' ' O ' ' A' ' 24' ' ' CYS . 34.3 m-85 -84.72 165.19 18.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -69.65 -45.02 69.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.324 0.583 . . . . 0.0 109.574 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.36 142.45 4.9 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.519 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.21 140.93 6.79 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.874 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 38.9 t80 -122.46 -43.23 2.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.837 0.351 . . . . 0.0 110.943 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.7 t -156.99 120.22 4.11 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.089 0.471 . . . . 0.0 109.839 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -105.45 -169.17 1.56 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.806 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.84 -26.04 59.95 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.426 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -77.83 -4.39 46.33 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.038 0.535 . . . . 0.0 111.526 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 62.11 40.91 11.43 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.283 0.563 . . . . 0.0 110.401 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.6 t -139.85 150.61 21.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.562 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 66.3 m -71.55 52.87 0.21 Allowed 'General case' 0 CA--C 1.531 0.215 0 O-C-N 123.592 0.558 . . . . 0.0 111.348 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.72 127.75 27.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.4 m -75.5 115.98 15.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.882 0.849 . . . . 0.0 111.554 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 . . . . . 0 C--O 1.245 0.86 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.228 179.357 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 N--CA 1.466 0.358 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 t -67.76 -35.94 79.61 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.486 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -59.98 -32.81 71.19 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.443 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.65 73.1 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.084 0.468 . . . . 0.0 110.755 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -59.5 -39.08 82.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.641 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.9 m -73.78 -48.78 29.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.601 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 21' ' ' ALA . 87.3 mt -54.05 -43.79 60.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 122.698 0.399 . . . . 0.0 111.331 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.91 71.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.942 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HG3' HH11 ' A' ' 27' ' ' ARG . 37.6 mtt85 -92.09 30.75 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.145 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 66.21 12.34 8.49 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 92.2 m-85 -89.57 160.46 16.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.946 -0.471 . . . . 0.0 110.388 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -72.8 -48.38 38.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.927 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.87 -146.33 7.8 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.63 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.64 55.75 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.715 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -58.02 -52.77 64.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.105 0.478 . . . . 0.0 110.484 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.5 t -171.5 124.15 0.57 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.635 ' ND2' ' HB ' ' A' ' 41' ' ' VAL . 20.9 m-20 -99.66 -174.77 2.8 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.757 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.84 -25.71 56.6 Favored Glycine 0 C--N 1.33 0.206 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.663 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -72.8 6.4 2.57 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.513 0.325 . . . . 0.0 111.217 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 59.91 36.4 21.78 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.202 0.525 . . . . 0.0 110.672 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.1 p -159.47 158.94 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.85 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.9 t -66.91 118.11 9.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.295 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.635 ' HB ' ' ND2' ' A' ' 35' ' ' ASN . 46.5 t -137.43 132.2 45.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 84.8 m -67.59 133.66 49.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.437 0.637 . . . . 0.0 112.133 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 . . . . . 0 C--O 1.245 0.83 0 CA-C-O 117.77 -1.11 . . . . 0.0 108.828 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.467 0.379 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.5 t -60.08 -37.46 79.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.49 0.662 . . . . 0.0 109.309 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.537 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -58.63 -33.5 70.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.735 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.66 -43.16 76.01 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 111.579 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -68.63 -35.34 77.17 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.5 m -66.78 -38.13 85.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.896 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 21' ' ' ALA . 88.6 mt -59.26 -35.45 58.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.33 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.17 -33.5 73.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.176 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.524 ' HB2' ' HD2' ' A' ' 29' ' ' TYR . 69.0 mtt-85 -87.31 28.16 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.19 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 20.7 ptt-85 52.19 28.83 5.87 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.641 1.177 . . . . 0.0 112.776 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.524 ' HD2' ' HB2' ' A' ' 27' ' ' ARG . 44.1 m-85 -96.22 157.96 15.66 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -64.18 -40.62 96.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.292 0.568 . . . . 0.0 109.766 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 42' ' ' CYS . . . 177.2 -145.14 7.09 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.418 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.01 36.88 0.56 Allowed Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.43 -0.891 . . . . 0.0 111.912 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -64.23 128.25 34.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -18.33 119.18 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 O-C-N 125.025 1.453 . . . . 0.0 113.279 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.582 ' ND2' ' HB ' ' A' ' 41' ' ' VAL . 19.0 m-20 -92.99 -150.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.727 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.464 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -68.06 -34.88 82.63 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.412 ' C ' ' H ' ' A' ' 39' ' ' VAL . 20.8 tptm -69.41 -3.07 12.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.042 -0.579 . . . . 0.0 111.214 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 75.19 -24.44 0.22 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.624 0.77 . . . . 0.0 111.585 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.412 ' H ' ' C ' ' A' ' 37' ' ' LYS . 8.2 p -88.26 158.3 3.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.345 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.9 t -61.72 124.09 19.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.094 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.582 ' HB ' ' ND2' ' A' ' 35' ' ' ASN . 77.1 t -137.21 125.05 32.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 61.8 m -64.25 126.2 26.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.455 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 117.955 -1.022 . . . . 0.0 108.936 179.326 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 CA--C 1.521 -0.149 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.69 -6.39 15.47 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.096 0.474 . . . . 0.0 110.494 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.15 82.49 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.333 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.25 -48.05 71.58 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.48 -42.57 87.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.019 178.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.1 m -68.06 -58.94 3.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.345 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.511 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 87.4 mt -54.9 -37.52 41.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.934 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.66 -35.07 75.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.54 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.9 mtt85 -97.84 31.12 2.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.822 0.344 . . . . 0.0 111.803 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 65.33 29.48 11.52 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.511 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 56.4 m-85 -104.56 159.38 15.8 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -82.42 -44.11 16.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.108 0.48 . . . . 0.0 110.363 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 43' ' ' ARG . . . 149.58 128.0 1.59 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.755 ' HA2' ' HG3' ' A' ' 43' ' ' ARG . . . -74.39 -46.4 20.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 114.007 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.9 t80 55.14 43.04 30.13 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.752 0.787 . . . . 0.0 110.171 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.7 t 67.96 133.41 0.03 OUTLIER 'General case' 0 C--N 1.34 0.194 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.599 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -119.73 -168.25 1.56 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.655 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.75 -38.09 80.94 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 113.394 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 39' ' ' VAL . 30.5 mtpp -69.42 -8.1 43.64 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 62.26 36.53 14.7 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.876 0.846 . . . . 0.0 109.815 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 40' ' ' CYS . 23.0 t -129.11 165.36 29.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.484 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.445 ' N ' HG12 ' A' ' 39' ' ' VAL . 1.8 m -70.44 61.82 0.23 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.881 0.372 . . . . 0.0 111.422 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.704 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 22.5 t -83.86 131.08 34.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 95.6 m -87.11 136.26 32.99 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.755 ' HG3' ' HA2' ' A' ' 32' ' ' GLY . 77.6 mtm180 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.128 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 N--CA 1.464 0.235 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 t -51.76 -32.28 30.16 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -57.13 -30.08 64.11 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.366 0.135 . . . . 0.0 111.366 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.99 -40.63 73.61 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.856 0.36 . . . . 0.0 110.785 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -64.01 -39.17 93.5 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 72.8 m -66.95 -44.47 80.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.316 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 21' ' ' ALA . 88.0 mt -58.02 -35.44 52.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.902 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.07 -39.94 79.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.285 0.564 . . . . 0.0 109.988 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -92.3 16.46 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.528 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 64.9 35.22 8.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.653 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 35.8 m-85 -97.99 153.5 18.34 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 176.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -63.15 -44.6 95.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.249 0.547 . . . . 0.0 110.778 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.55 ' O ' ' HA ' ' A' ' 42' ' ' CYS . . . 172.84 -145.2 8.31 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.2 45.85 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 119.699 -1.239 . . . . 0.0 113.374 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -65.17 130.34 42.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.644 0.222 . . . . 0.0 110.449 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -1.53 98.45 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 O-C-N 125.167 1.542 . . . . 0.0 113.857 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.576 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 2.3 m120 -79.28 -156.32 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.094 -178.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -60.47 -39.59 96.54 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.858 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HB3' HG12 ' A' ' 39' ' ' VAL . 28.2 tptp -73.75 3.96 5.79 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.182 0.515 . . . . 0.0 110.431 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? 60.45 37.53 19.79 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.8 0.81 . . . . 0.0 110.16 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG12 ' HB3' ' A' ' 37' ' ' LYS . 9.8 p -143.32 153.94 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.356 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.9 t -66.07 122.18 16.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.985 0.422 . . . . 0.0 110.596 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.576 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 65.1 t -136.3 115.41 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 77.0 m -61.2 118.33 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.092 0.472 . . . . 0.0 110.883 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.462 ' HD3' ' OD1' ' A' ' 35' ' ' ASN . 17.4 mmm180 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.628 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.9 mt . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 33' ' ' TYR . 48.9 t -58.12 -40.35 81.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.857 0.36 . . . . 0.0 110.81 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.07 70.01 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.798 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.54 -43.57 80.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.904 0.383 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -71.34 -37.01 71.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.7 m -65.42 -46.67 79.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.998 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.69 -36.75 72.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.42 -40.1 89.82 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.727 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.8 mmt-85 -84.7 17.12 2.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.035 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 64.52 29.48 13.22 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -92.75 -168.54 1.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -89.47 -57.25 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.89 0.376 . . . . 0.0 110.068 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.94 148.04 5.51 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.436 -0.888 . . . . 0.0 113.023 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 20' ' ' CYS . . . 177.93 -150.94 10.26 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.485 ' HA ' ' HB3' ' A' ' 20' ' ' CYS . 10.5 t80 -150.43 -129.26 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 56.6 m -78.36 109.83 12.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.161 0.505 . . . . 0.0 110.488 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.493 ' HB3' ' H ' ' A' ' 36' ' ' GLY . 18.9 m-80 -87.94 -147.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.384 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.493 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -58.32 -30.78 65.04 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.311 -0.471 . . . . 0.0 112.518 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -67.71 -13.14 61.85 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 65.0 32.38 10.53 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.384 0.611 . . . . 0.0 110.397 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 29.7 t -151.64 159.74 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 t -51.47 111.28 0.56 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.067 0.461 . . . . 0.0 110.313 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 39' ' ' VAL . 54.6 t -126.25 128.48 71.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.825 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.1 m -83.12 139.31 33.27 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.339 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.099 -179.312 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 82.8 m -56.43 -37.8 70.72 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 122.505 0.322 . . . . 0.0 111.494 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.49 -44.33 72.55 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.247 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.28 -49.74 73.37 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.639 0.257 . . . . 0.0 111.491 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -64.39 -42.02 96.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.118 0.485 . . . . 0.0 110.588 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.573 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 82.5 m -65.21 -48.68 72.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.248 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.39 -33.99 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.0 0.428 . . . . 0.0 110.293 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.47 -31.06 65.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.05 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -109.94 28.46 8.57 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.58 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 63.41 37.79 10.49 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.573 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 79.8 m-85 -107.33 153.2 23.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.123 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -68.9 -45.58 70.55 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.68 -148.81 9.24 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.05 52.75 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 119.423 -1.37 . . . . 0.0 114.054 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -83.16 121.44 27.07 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.414 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.449 ' HA ' ' C ' ' A' ' 39' ' ' VAL . 83.4 m 38.17 84.04 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 O-C-N 124.246 0.966 . . . . 0.0 113.352 178.2 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.462 ' HB3' ' H ' ' A' ' 36' ' ' GLY . 3.3 m120 -71.23 -158.64 0.04 OUTLIER 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.026 0.441 . . . . 0.0 111.375 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.462 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -58.63 -35.46 81.04 Favored Glycine 0 C--N 1.33 0.209 0 CA-C-N 116.084 -0.507 . . . . 0.0 113.27 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 37' ' ' LYS . 3.6 mmmp? -74.15 15.04 0.35 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 54.39 36.3 25.13 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.1 0.476 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.449 ' C ' ' HA ' ' A' ' 34' ' ' CYS . 9.6 p -149.21 150.02 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.722 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -63.16 120.68 11.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.72 0.295 . . . . 0.0 110.838 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.4 t -145.66 126.01 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HB3' ' CG ' ' A' ' 29' ' ' TYR . 97.4 m -67.82 139.22 56.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.953 0.406 . . . . 0.0 111.147 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.692 -0.671 . . . . 0.0 110.397 -179.413 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.4 mt . . . . . 0 C--O 1.233 0.196 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.0 -43.34 99.04 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -55.02 -45.62 75.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.441 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.51 -42.23 82.38 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.219 0.533 . . . . 0.0 110.623 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -64.78 -46.35 82.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.886 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.701 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 74.0 m -64.99 -45.64 84.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.819 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 21' ' ' ALA . 82.2 mt -55.2 -36.39 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 111.042 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.37 -35.65 70.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -93.86 28.12 2.51 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.484 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 65.39 38.88 5.49 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -109.34 152.93 24.64 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -66.69 -48.08 70.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.73 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.53 122.4 0.68 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.701 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -86.16 51.89 4.46 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.305 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . 0.459 ' CE1' ' HD3' ' A' ' 43' ' ' ARG . 4.1 p90 -65.55 157.76 28.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.88 0.34 . . . . 0.0 110.518 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 97.2 m -53.84 123.24 11.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.393 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 5.4 m120 -77.65 -150.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.322 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.54 -37.33 23.97 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.918 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.521 ' O ' HG23 ' A' ' 39' ' ' VAL . 9.4 mtpm? -78.49 28.33 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.73 44.4 27.78 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 111.139 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 37' ' ' LYS . 93.3 t -142.32 129.32 19.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 13.8 p -78.09 123.18 26.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.438 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 94.1 t -132.48 130.95 60.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.8 m -58.06 121.8 11.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.375 0.607 . . . . 0.0 111.331 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.459 ' HD3' ' CE1' ' A' ' 33' ' ' TYR . 14.5 ptm180 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.988 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.472 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 7.9 m -58.6 132.29 53.37 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.071 0.232 . . . . 0.0 110.437 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 2' ' ' THR . 6.9 t 70.73 -60.55 0.5 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.712 0.633 . . . . 0.0 111.185 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -83.69 62.27 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.0 tp -102.11 142.28 33.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.744 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.25 -135.74 1.34 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.306 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.3 m -73.47 94.13 2.06 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -59.81 135.24 57.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.779 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.0 p -170.99 43.51 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.643 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.3 m -59.35 133.02 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.983 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -82.3 53.69 2.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.414 0.626 . . . . 0.0 110.764 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.462 ' CD1' HG22 ' A' ' 13' ' ' VAL . 6.1 t-105 -163.18 -157.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 12' ' ' TRP . 28.4 m -71.93 132.42 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-O 120.958 0.408 . . . . 0.0 110.957 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 p -61.1 137.78 94.19 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.627 ' HB3' ' HB2' ' A' ' 34' ' ' CYS . 19.5 Cg_endo -61.55 -42.39 33.55 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.48 2.12 . . . . 0.0 112.235 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.8 p30 34.84 58.9 0.71 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.138 0.975 . . . . 0.0 112.981 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 33' ' ' TYR . 9.9 p-10 -49.53 -34.8 18.34 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.299 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 m -52.0 -28.17 16.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.97 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.7 mt -120.69 -48.09 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.495 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.92 -48.71 75.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.297 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -66.53 -36.89 83.81 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.547 0.213 . . . . 0.0 110.708 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.08 -41.74 88.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.306 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -65.7 -38.01 88.04 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.573 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 85.7 m -60.31 -44.14 95.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.886 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 21' ' ' ALA . 88.5 mt -57.64 -33.66 45.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.936 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.76 68.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.206 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -111.25 38.87 2.43 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 60.62 27.02 16.72 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.573 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 82.3 m-85 -103.98 155.81 18.36 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' N ' ' HD2' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -71.92 -51.01 24.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 155.03 137.68 2.44 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.424 -0.894 . . . . 0.0 112.61 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.33 -83.2 0.18 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.004 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.548 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . 18.0 t80 53.29 45.36 28.64 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.331 0.586 . . . . 0.0 110.537 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.627 ' HB2' ' HB3' ' A' ' 15' ' ' PRO . 8.7 t 64.58 116.55 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.769 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.642 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 2.5 m120 -80.59 -154.69 0.1 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.08 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -62.98 -42.97 99.55 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.695 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -76.96 -84.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.824 0.312 . . . . 0.0 110.24 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.58 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 1.6 ppt_? -173.49 14.22 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.2 t -106.3 142.58 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.2 t -81.89 51.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 111.044 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.642 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 61.9 t -67.13 133.77 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 64.1 m -70.61 132.15 45.03 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.063 0.459 . . . . 0.0 110.848 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.939 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.936 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.2 t 43.06 -148.48 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 O-C-N 124.214 0.946 . . . . 0.0 111.992 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.848 ' HA ' ' HB3' ' A' ' 34' ' ' CYS . 66.5 m -77.44 -45.24 26.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.29 -0.256 . . . . 0.0 111.52 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.46 ' HB2' ' CG ' ' A' ' 38' ' ' ARG . 30.5 t70 -149.79 161.7 41.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.515 0.198 . . . . 0.0 110.603 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.76 -33.14 75.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.487 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.38 -30.19 70.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.219 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.7 m -74.39 128.94 36.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.155 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.74 5.81 0.09 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.308 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -79.1 101.33 7.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.552 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 16.4 m 58.34 -140.81 0.74 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 119.073 -0.489 . . . . 0.0 109.863 -178.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 10' ' ' SER . 2.4 pt20 54.37 122.93 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.891 1.276 . . . . 0.0 113.168 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.441 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 7.0 t-105 -67.96 145.66 54.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.274 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.4 p -73.53 47.01 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-O 121.916 0.865 . . . . 0.0 112.265 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.1 p -136.4 137.83 25.3 Favored Pre-proline 0 C--N 1.321 -0.631 0 O-C-N 121.743 -0.598 . . . . 0.0 110.581 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.76 -42.86 60.31 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.714 2.276 . . . . 0.0 111.9 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 71.55 -45.98 0.63 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.428 0.691 . . . . 0.0 110.809 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.993 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 64.0 m-20 61.13 42.24 12.6 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.853 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.639 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -66.26 118.96 10.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.677 -179.693 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 18' ' ' SER . 4.3 pp 56.4 -38.99 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 126.144 1.778 . . . . 0.0 115.033 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.502 ' N ' HD12 ' A' ' 19' ' ' LEU . 51.0 t -60.8 -38.97 87.16 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 122.435 0.294 . . . . 0.0 111.33 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.993 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . -62.3 -37.26 84.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.852 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.9 77.22 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.819 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -64.2 -40.98 97.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.4 m -64.99 -48.3 74.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.93 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.27 -37.7 74.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.974 0.416 . . . . 0.0 110.457 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.88 -19.77 64.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.408 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.482 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 4.6 mmp_? -113.56 28.19 8.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.096 0.474 . . . . 0.0 110.723 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 60.29 47.71 8.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.384 -0.826 . . . . 0.0 113.102 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -125.04 152.77 43.84 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -67.04 -44.89 79.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.321 0.582 . . . . 0.0 109.913 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.3 137.59 9.52 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.366 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.38 115.01 0.63 Allowed Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.304 -0.951 . . . . 0.0 112.717 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.407 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 62.2 t80 -75.64 132.84 40.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.753 -0.224 . . . . 0.0 110.705 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.848 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 14.0 m 46.43 79.92 0.05 Allowed 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.682 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 7.1 m120 -75.63 -153.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.05 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.427 ' O ' ' HD3' ' A' ' 38' ' ' ARG . . . -62.95 -26.23 68.75 Favored Glycine 0 N--CA 1.452 -0.248 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -76.47 4.55 8.9 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.46 ' CG ' ' HB2' ' A' ' 4' ' ' ASP . 1.0 OUTLIER 65.77 11.78 7.84 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.075 0.55 . . . . 0.0 111.575 -179.702 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.439 ' C ' ' HA ' ' A' ' 34' ' ' CYS . 21.7 t -137.28 152.77 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.411 ' HA ' ' H ' ' A' ' 34' ' ' CYS . 34.3 t -64.25 120.63 12.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.299 0.571 . . . . 0.0 110.42 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.682 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 60.2 t -130.12 141.19 46.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.148 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 89.6 m -74.73 123.66 25.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.309 0.576 . . . . 0.0 111.255 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.0 ptm85 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.339 -0.846 . . . . 0.0 108.732 179.753 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.659 0.266 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.7 t -170.71 -41.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.618 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.415 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 88.5 m -153.55 157.38 39.66 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 11.7 t70 -59.92 142.31 53.91 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 96.3 mt 76.55 -41.29 0.4 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.45 0.7 . . . . 0.0 110.371 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.687 ' HA ' ' HB2' ' A' ' 12' ' ' TRP . . . -67.36 -19.44 65.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.448 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 m -57.35 -36.65 71.45 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.38 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.7 m-85 -72.46 136.39 45.97 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.62 179.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 p -67.77 133.02 48.51 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.7 t 59.36 65.12 1.22 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.33 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.614 ' HG2' ' HD1' ' A' ' 12' ' ' TRP . 64.9 tt0 -149.76 -50.38 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.98 0.419 . . . . 0.0 111.091 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.687 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . 24.0 m95 -126.65 49.06 2.08 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.151 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -76.92 -38.24 28.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -75.3 139.78 72.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.995 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.82 -18.64 57.6 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.668 2.245 . . . . 0.0 111.721 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 73.77 -46.1 0.62 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.81 0.844 . . . . 0.0 110.976 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 56.08 49.57 15.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.024 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.7 p -68.24 -48.34 65.35 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 20' ' ' CYS . 2.6 pt? -153.33 -39.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.577 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.435 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 93.9 m -57.73 -42.39 83.78 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.11 82.04 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.59 -41.48 81.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.949 0.404 . . . . 0.0 110.566 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -63.34 -37.98 89.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.287 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 29' ' ' TYR . 59.9 m -68.36 -51.36 45.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.773 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.3 mt -56.94 -32.79 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.064 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.18 -34.49 66.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.24 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 79.0 mtp180 -103.16 31.64 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.268 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 61.88 28.07 17.13 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.463 ' HB2' ' O ' ' A' ' 24' ' ' CYS . 34.3 m-85 -84.72 165.19 18.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -69.65 -45.02 69.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.324 0.583 . . . . 0.0 109.574 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.36 142.45 4.9 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.519 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.21 140.93 6.79 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.874 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 38.9 t80 -122.46 -43.23 2.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.837 0.351 . . . . 0.0 110.943 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.7 t -156.99 120.22 4.11 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.089 0.471 . . . . 0.0 109.839 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -105.45 -169.17 1.56 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.806 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.84 -26.04 59.95 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.426 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -77.83 -4.39 46.33 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.038 0.535 . . . . 0.0 111.526 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HG3' ' HA ' ' A' ' 3' ' ' CYS . 1.1 mpp_? 62.11 40.91 11.43 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.283 0.563 . . . . 0.0 110.401 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.6 t -139.85 150.61 21.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.562 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 66.3 m -71.55 52.87 0.21 Allowed 'General case' 0 CA--C 1.531 0.215 0 O-C-N 123.592 0.558 . . . . 0.0 111.348 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.72 127.75 27.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.4 m -75.5 115.98 15.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.882 0.849 . . . . 0.0 111.554 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 . . . . . 0 C--O 1.245 0.86 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.228 179.357 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.886 0.374 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.461 ' HB ' ' H ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER -75.19 -130.13 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.105 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.461 ' H ' ' HB ' ' A' ' 2' ' ' THR . 59.5 m -66.13 -38.96 89.44 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.543 0.687 . . . . 0.0 109.269 179.224 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -75.37 129.82 38.0 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.706 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.5 tp -158.24 -45.63 0.06 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.61 90.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.536 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -96.03 123.38 39.61 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.629 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -87.35 -30.16 21.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.951 0.405 . . . . 0.0 110.723 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m 54.57 -139.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.058 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.5 t -178.69 121.69 0.09 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 55.58 61.39 2.86 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.066 0.46 . . . . 0.0 109.771 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 -74.6 61.18 0.94 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.236 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 m -87.69 136.72 22.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.818 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.0 m 74.82 135.01 0.05 OUTLIER Pre-proline 0 CA--C 1.532 0.267 0 O-C-N 123.561 0.538 . . . . 0.0 110.478 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -51.01 -33.54 42.97 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.79 2.326 . . . . 0.0 112.559 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 53.25 45.81 27.76 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.499 0.666 . . . . 0.0 111.366 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -102.71 -51.11 3.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.192 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.5 t 68.99 -51.74 0.59 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.17 -66.42 0.57 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 t -67.76 -35.94 79.61 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -59.98 -32.81 71.19 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.443 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.65 73.1 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.084 0.468 . . . . 0.0 110.755 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -59.5 -39.08 82.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.641 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.9 m -73.78 -48.78 29.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.601 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 21' ' ' ALA . 87.3 mt -54.05 -43.79 60.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 122.698 0.399 . . . . 0.0 111.331 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.91 71.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.942 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.438 ' HG3' HH11 ' A' ' 27' ' ' ARG . 37.6 mtt85 -92.09 30.75 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.145 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 66.21 12.34 8.49 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 92.2 m-85 -89.57 160.46 16.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.946 -0.471 . . . . 0.0 110.388 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -72.8 -48.38 38.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.927 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.87 -146.33 7.8 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.63 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.64 55.75 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.715 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -58.02 -52.77 64.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.105 0.478 . . . . 0.0 110.484 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.5 t -171.5 124.15 0.57 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.635 ' ND2' ' HB ' ' A' ' 41' ' ' VAL . 20.9 m-20 -99.66 -174.77 2.8 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.757 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.84 -25.71 56.6 Favored Glycine 0 C--N 1.33 0.206 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.663 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -72.8 6.4 2.57 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.513 0.325 . . . . 0.0 111.217 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' NH1' ' HA ' ' A' ' 3' ' ' CYS . 33.8 mmt180 59.91 36.4 21.78 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.202 0.525 . . . . 0.0 110.672 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.1 p -159.47 158.94 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.85 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.9 t -66.91 118.11 9.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.295 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.635 ' HB ' ' ND2' ' A' ' 35' ' ' ASN . 46.5 t -137.43 132.2 45.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 84.8 m -67.59 133.66 49.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.437 0.637 . . . . 0.0 112.133 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 . . . . . 0 C--O 1.245 0.83 0 CA-C-O 117.77 -1.11 . . . . 0.0 108.828 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.785 0.326 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.574 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 75.8 p 50.88 -150.64 0.25 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.687 0.795 . . . . 0.0 112.416 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.445 ' HB2' ' HD2' ' A' ' 38' ' ' ARG . 8.4 t 179.58 -42.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.83 ' HB2' ' HA ' ' A' ' 35' ' ' ASN . 51.1 t0 -61.13 137.13 58.24 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.739 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.41 ' HA ' ' CE1' ' A' ' 8' ' ' PHE . 43.5 tp 71.55 -42.44 0.53 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.697 0.799 . . . . 0.0 111.799 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.43 -42.84 74.45 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.5 t -65.8 -63.56 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.7 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.41 ' CE1' ' HA ' ' A' ' 5' ' ' LEU . 16.4 p90 -77.14 142.75 39.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.878 0.37 . . . . 0.0 111.601 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -163.76 53.54 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.311 0.577 . . . . 0.0 109.624 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -175.35 -152.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.041 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -80.56 58.48 3.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.47 0.652 . . . . 0.0 110.536 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -83.5 63.37 7.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.286 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.15 121.65 6.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.226 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.9 p 61.59 144.28 0.06 OUTLIER Pre-proline 0 CA--C 1.536 0.426 0 C-N-CA 124.518 1.127 . . . . 0.0 112.059 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.868 ' HG2' ' HA3' ' A' ' 31' ' ' GLY . 74.2 Cg_exo -52.43 120.2 7.04 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.819 2.346 . . . . 0.0 112.531 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -72.93 30.65 0.06 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.177 0.513 . . . . 0.0 111.548 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.512 ' OD2' ' HB3' ' A' ' 20' ' ' CYS . 23.7 t70 -91.84 -46.04 8.07 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.74 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.0 p 61.44 -55.31 0.11 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.99 -69.35 0.36 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.45 0.568 . . . . 0.0 112.392 -178.022 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.512 ' HB3' ' OD2' ' A' ' 17' ' ' ASP . 15.5 t -60.08 -37.46 79.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.49 0.662 . . . . 0.0 109.309 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.537 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -58.63 -33.5 70.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.735 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.66 -43.16 76.01 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 111.579 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -68.63 -35.34 77.17 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.5 m -66.78 -38.13 85.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.896 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 21' ' ' ALA . 88.6 mt -59.26 -35.45 58.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.33 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.17 -33.5 73.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.176 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.524 ' HB2' ' HD2' ' A' ' 29' ' ' TYR . 69.0 mtt-85 -87.31 28.16 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.19 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 20.7 ptt-85 52.19 28.83 5.87 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.641 1.177 . . . . 0.0 112.776 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.524 ' HD2' ' HB2' ' A' ' 27' ' ' ARG . 44.1 m-85 -96.22 157.96 15.66 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -64.18 -40.62 96.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.292 0.568 . . . . 0.0 109.766 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.868 ' HA3' ' HG2' ' A' ' 15' ' ' PRO . . . 177.2 -145.14 7.09 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.418 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.01 36.88 0.56 Allowed Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.43 -0.891 . . . . 0.0 111.912 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.751 ' HB2' ' HB3' ' A' ' 15' ' ' PRO . 11.6 t80 -64.23 128.25 34.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -18.33 119.18 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 O-C-N 125.025 1.453 . . . . 0.0 113.279 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.83 ' HA ' ' HB2' ' A' ' 4' ' ' ASP . 19.0 m-20 -92.99 -150.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.727 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.574 ' O ' ' HA ' ' A' ' 2' ' ' THR . . . -68.06 -34.88 82.63 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' C ' ' H ' ' A' ' 39' ' ' VAL . 20.8 tptm -69.41 -3.07 12.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.042 -0.579 . . . . 0.0 111.214 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.445 ' HD2' ' HB2' ' A' ' 3' ' ' CYS . 25.9 tpt180 75.19 -24.44 0.22 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.624 0.77 . . . . 0.0 111.585 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.412 ' H ' ' C ' ' A' ' 37' ' ' LYS . 8.2 p -88.26 158.3 3.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.345 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.9 t -61.72 124.09 19.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.094 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.582 ' HB ' ' ND2' ' A' ' 35' ' ' ASN . 77.1 t -137.21 125.05 32.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 61.8 m -64.25 126.2 26.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.455 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 117.955 -1.022 . . . . 0.0 108.936 179.326 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.676 ' HB3' ' HB2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.22 -48.86 75.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.725 0.298 . . . . 0.0 111.387 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.5 m -112.87 -52.3 2.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.942 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.676 ' HB2' ' HB3' ' A' ' 1' ' ' ALA . 7.4 t70 56.94 -138.48 0.96 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.5 mt -124.58 -112.97 0.3 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 119.736 -0.173 . . . . 0.0 110.585 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 67.12 -70.5 0.11 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.308 0.643 . . . . 0.0 110.384 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 t -88.67 152.06 22.05 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 63.24 41.92 7.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.211 0.529 . . . . 0.0 110.271 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 p -70.57 129.98 40.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.413 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.3 m 55.93 47.23 20.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.276 0.56 . . . . 0.0 110.264 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -139.57 -131.99 0.12 Allowed 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.775 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.9 m95 -134.94 131.78 37.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.256 0.551 . . . . 0.0 111.24 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.457 HG21 ' NE ' ' A' ' 38' ' ' ARG . 15.0 p -169.56 44.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.749 1.261 . . . . 0.0 108.043 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 42.2 p -60.15 121.87 62.37 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 113.904 -1.498 . . . . 0.0 111.905 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.624 ' HB2' ' HD1' ' A' ' 33' ' ' TYR . 39.1 Cg_endo -66.42 143.46 69.74 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.237 1.958 . . . . 0.0 111.413 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.825 ' HB2' ' H ' ' A' ' 33' ' ' TYR . 5.1 m120 -72.31 37.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.676 ' HB2' ' HB2' ' A' ' 33' ' ' TYR . 38.4 t70 -124.02 -41.13 2.23 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 m -76.24 -58.48 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.279 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 pp -127.07 -37.82 2.05 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.667 ' CB ' ' HA ' ' A' ' 16' ' ' ASN . 0.6 OUTLIER -66.69 -6.39 15.47 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.096 0.474 . . . . 0.0 110.494 179.099 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.15 82.49 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.333 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.25 -48.05 71.58 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -58.48 -42.57 87.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.019 178.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 16' ' ' ASN . 80.1 m -68.06 -58.94 3.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.345 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.511 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 87.4 mt -54.9 -37.52 41.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.934 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.66 -35.07 75.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.54 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.9 mtt85 -97.84 31.12 2.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.822 0.344 . . . . 0.0 111.803 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 65.33 29.48 11.52 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.511 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 56.4 m-85 -104.56 159.38 15.8 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -82.42 -44.11 16.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.108 0.48 . . . . 0.0 110.363 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 43' ' ' ARG . . . 149.58 128.0 1.59 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.755 ' HA2' ' HG3' ' A' ' 43' ' ' ARG . . . -74.39 -46.4 20.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 114.007 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.825 ' H ' ' HB2' ' A' ' 16' ' ' ASN . 36.9 t80 55.14 43.04 30.13 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.752 0.787 . . . . 0.0 110.171 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.7 t 67.96 133.41 0.03 OUTLIER 'General case' 0 C--N 1.34 0.194 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.599 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 39.0 m-20 -119.73 -168.25 1.56 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.655 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.75 -38.09 80.94 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 113.394 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 39' ' ' VAL . 30.5 mtpp -69.42 -8.1 43.64 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.457 ' NE ' HG21 ' A' ' 13' ' ' VAL . 8.5 tpt180 62.26 36.53 14.7 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.876 0.846 . . . . 0.0 109.815 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 40' ' ' CYS . 23.0 t -129.11 165.36 29.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.484 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.483 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 1.8 m -70.44 61.82 0.23 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.881 0.372 . . . . 0.0 111.422 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.704 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 22.5 t -83.86 131.08 34.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 95.6 m -87.11 136.26 32.99 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.755 ' HG3' ' HA2' ' A' ' 32' ' ' GLY . 77.6 mtm180 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.128 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.768 ' HB ' ' HG2' ' A' ' 38' ' ' ARG . 9.4 m -58.65 130.27 46.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.175 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.8 t -159.71 140.67 12.44 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -58.83 134.84 57.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.348 0.594 . . . . 0.0 110.784 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.9 tp -102.55 49.24 0.85 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.642 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.48 88.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.527 0.68 . . . . 0.0 109.572 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.5 t -122.22 -126.48 0.26 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.684 ' HA ' ' HG3' ' A' ' 11' ' ' GLN . 2.0 m-85 61.02 30.86 19.82 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.397 0.436 . . . . 0.0 111.505 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.5 m -65.37 -36.77 85.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.422 0.63 . . . . 0.0 110.162 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.3 m -143.8 44.89 1.48 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.684 ' HG3' ' HA ' ' A' ' 8' ' ' PHE . 18.7 pt20 -165.45 56.13 0.11 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.3 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -69.53 143.89 53.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.927 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.1 t 55.28 54.02 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 111.11 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.52 HG21 ' HB2' ' A' ' 11' ' ' GLN . 5.0 p -110.14 142.23 25.5 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.605 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 17' ' ' ASP . 20.0 Cg_exo -67.39 -160.01 0.05 OUTLIER 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.993 2.462 . . . . 0.0 112.691 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.65 ' HA ' ' HB2' ' A' ' 21' ' ' ALA . 51.0 t30 69.57 -27.05 0.15 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.862 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.814 ' HB2' ' HA ' ' A' ' 33' ' ' TYR . 44.8 t0 57.39 40.34 27.52 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.8 t 70.44 -41.97 0.51 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 114.177 -1.374 . . . . 0.0 112.632 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -161.39 -27.53 0.05 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 t -51.76 -32.28 30.16 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.65 ' HB2' ' HA ' ' A' ' 16' ' ' ASN . . . -57.13 -30.08 64.11 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.366 0.135 . . . . 0.0 111.366 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.99 -40.63 73.61 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.856 0.36 . . . . 0.0 110.785 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -64.01 -39.17 93.5 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 72.8 m -66.95 -44.47 80.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.316 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 21' ' ' ALA . 88.0 mt -58.02 -35.44 52.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.902 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.07 -39.94 79.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.285 0.564 . . . . 0.0 109.988 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -92.3 16.46 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.528 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 64.9 35.22 8.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.653 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 35.8 m-85 -97.99 153.5 18.34 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 176.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -63.15 -44.6 95.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.249 0.547 . . . . 0.0 110.778 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.55 ' O ' ' HA ' ' A' ' 42' ' ' CYS . . . 172.84 -145.2 8.31 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.2 45.85 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 119.699 -1.239 . . . . 0.0 113.374 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.814 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 29.9 p90 -65.17 130.34 42.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.644 0.222 . . . . 0.0 110.449 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -1.53 98.45 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 O-C-N 125.167 1.542 . . . . 0.0 113.857 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.576 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 2.3 m120 -79.28 -156.32 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.094 -178.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -60.47 -39.59 96.54 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.858 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HB3' HG12 ' A' ' 39' ' ' VAL . 28.2 tptp -73.75 3.96 5.79 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.182 0.515 . . . . 0.0 110.431 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.768 ' HG2' ' HB ' ' A' ' 2' ' ' THR . 1.9 mpp_? 60.45 37.53 19.79 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.8 0.81 . . . . 0.0 110.16 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG12 ' HB3' ' A' ' 37' ' ' LYS . 9.8 p -143.32 153.94 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.356 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.9 t -66.07 122.18 16.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.985 0.422 . . . . 0.0 110.596 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.576 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 65.1 t -136.3 115.41 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 77.0 m -61.2 118.33 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.092 0.472 . . . . 0.0 110.883 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.462 ' HD3' ' OD1' ' A' ' 35' ' ' ASN . 17.4 mmm180 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.628 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.492 0.187 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.996 ' HA ' HG21 ' A' ' 13' ' ' VAL . 23.7 m 72.08 124.34 0.03 OUTLIER 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.988 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 38' ' ' ARG . 19.1 m -69.9 122.09 18.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.668 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.2 t0 53.88 69.48 0.71 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.856 0.723 . . . . 0.0 112.177 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.98 109.49 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.992 0.425 . . . . 0.0 110.56 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -175.82 72.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.79 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.456 ' O ' ' HB3' ' A' ' 8' ' ' PHE . 72.7 m 64.03 -142.7 0.3 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.498 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.456 ' HB3' ' O ' ' A' ' 7' ' ' SER . 28.3 t80 69.76 127.63 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.174 0.512 . . . . 0.0 111.079 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 m -64.01 116.01 5.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.371 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t -84.43 127.54 34.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -116.21 39.58 3.06 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 69.84 107.27 0.06 Allowed 'General case' 0 C--O 1.233 0.209 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.707 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.996 HG21 ' HA ' ' A' ' 2' ' ' THR . 81.9 t -66.02 128.45 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.769 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.579 ' O ' ' HB3' ' A' ' 18' ' ' SER . 22.1 m -148.77 121.55 4.5 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.959 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.57 ' HA ' ' CB ' ' A' ' 33' ' ' TYR . 80.1 Cg_endo -76.85 -145.77 0.03 OUTLIER 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.27 2.647 . . . . 0.0 112.889 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.584 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 50.5 t30 66.45 -67.35 0.16 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.671 0.788 . . . . 0.0 112.062 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -173.79 28.2 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.097 0.475 . . . . 0.0 111.914 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.579 ' HB3' ' O ' ' A' ' 14' ' ' THR . 43.6 t -79.6 116.35 19.75 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.904 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.9 mt 64.64 -53.66 0.29 Allowed 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 33' ' ' TYR . 48.9 t -58.12 -40.35 81.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.857 0.36 . . . . 0.0 110.81 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.07 70.01 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.798 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.54 -43.57 80.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.904 0.383 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -71.34 -37.01 71.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.7 m -65.42 -46.67 79.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.998 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.69 -36.75 72.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.42 -40.1 89.82 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.727 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.8 mmt-85 -84.7 17.12 2.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.035 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 64.52 29.48 13.22 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -92.75 -168.54 1.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -89.47 -57.25 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.89 0.376 . . . . 0.0 110.068 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.94 148.04 5.51 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.436 -0.888 . . . . 0.0 113.023 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.584 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 177.93 -150.94 10.26 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.829 ' HE2' HG13 ' A' ' 13' ' ' VAL . 10.5 t80 -150.43 -129.26 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 56.6 m -78.36 109.83 12.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.161 0.505 . . . . 0.0 110.488 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.493 ' HB3' ' H ' ' A' ' 36' ' ' GLY . 18.9 m-80 -87.94 -147.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.384 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.493 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -58.32 -30.78 65.04 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.311 -0.471 . . . . 0.0 112.518 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -67.71 -13.14 61.85 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 0.5 OUTLIER 65.0 32.38 10.53 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.384 0.611 . . . . 0.0 110.397 -178.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 29.7 t -151.64 159.74 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 t -51.47 111.28 0.56 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.067 0.461 . . . . 0.0 110.313 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 39' ' ' VAL . 54.6 t -126.25 128.48 71.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.825 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.1 m -83.12 139.31 33.27 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.339 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.099 -179.312 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.5 p 49.06 56.94 7.02 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.019 0.527 . . . . 0.0 111.985 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.8 m 61.68 44.25 9.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 36.02 66.92 0.33 Allowed 'General case' 0 N--CA 1.472 0.652 0 O-C-N 124.174 0.921 . . . . 0.0 112.708 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.88 -41.84 97.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.123 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.85 126.74 32.24 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.3 p 53.87 79.44 0.13 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.862 0.726 . . . . 0.0 111.061 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -49.91 117.71 2.46 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.273 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 m -125.72 -44.39 1.81 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.618 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.0 m -68.47 84.08 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.29 0.567 . . . . 0.0 111.796 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -163.29 36.3 0.09 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.373 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -89.76 -159.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.05 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 p -73.2 112.88 10.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.65 HG22 ' HD2' ' A' ' 15' ' ' PRO . 1.3 m 71.13 144.72 0.11 Allowed Pre-proline 0 N--CA 1.467 0.408 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -177.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.65 ' HD2' HG22 ' A' ' 14' ' ' THR . 81.6 Cg_exo -45.75 143.94 6.0 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.201 1.934 . . . . 0.0 111.535 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -57.04 -18.42 14.03 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.506 0.67 . . . . 0.0 110.032 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 1.028 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 88.6 m-20 44.79 41.93 5.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.301 -1.318 . . . . 0.0 113.397 177.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.3 t -78.2 118.6 20.58 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt 69.59 -48.31 0.61 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.781 0.832 . . . . 0.0 112.087 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 82.8 m -56.43 -37.8 70.72 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 122.505 0.322 . . . . 0.0 111.494 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 1.028 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . -54.49 -44.33 72.55 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.247 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.28 -49.74 73.37 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.639 0.257 . . . . 0.0 111.491 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -64.39 -42.02 96.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.118 0.485 . . . . 0.0 110.588 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.573 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 82.5 m -65.21 -48.68 72.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.248 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.39 -33.99 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.0 0.428 . . . . 0.0 110.293 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.47 -31.06 65.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.05 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -109.94 28.46 8.57 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.58 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 63.41 37.79 10.49 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.573 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 79.8 m-85 -107.33 153.2 23.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.123 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -68.9 -45.58 70.55 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.68 -148.81 9.24 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.05 52.75 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 119.423 -1.37 . . . . 0.0 114.054 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.682 ' HB2' ' HA ' ' A' ' 17' ' ' ASP . 41.1 t80 -83.16 121.44 27.07 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.414 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.449 ' HA ' ' C ' ' A' ' 39' ' ' VAL . 83.4 m 38.17 84.04 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 O-C-N 124.246 0.966 . . . . 0.0 113.352 178.2 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.462 ' HB3' ' H ' ' A' ' 36' ' ' GLY . 3.3 m120 -71.23 -158.64 0.04 OUTLIER 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.026 0.441 . . . . 0.0 111.375 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.462 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -58.63 -35.46 81.04 Favored Glycine 0 C--N 1.33 0.209 0 CA-C-N 116.084 -0.507 . . . . 0.0 113.27 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 37' ' ' LYS . 3.6 mmmp? -74.15 15.04 0.35 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 54.39 36.3 25.13 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.1 0.476 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.449 ' C ' ' HA ' ' A' ' 34' ' ' CYS . 9.6 p -149.21 150.02 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.722 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -63.16 120.68 11.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.72 0.295 . . . . 0.0 110.838 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.4 t -145.66 126.01 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HB3' ' CG ' ' A' ' 29' ' ' TYR . 97.4 m -67.82 139.22 56.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.953 0.406 . . . . 0.0 111.147 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.692 -0.671 . . . . 0.0 110.397 -179.413 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.71 0.29 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.619 ' HA ' ' HB3' ' A' ' 6' ' ' ALA . 1.7 p -64.18 -41.05 97.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.741 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -73.52 53.5 0.42 Allowed 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -160.08 53.95 0.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.532 ' H ' ' HE2' ' A' ' 8' ' ' PHE . 55.0 mt 54.18 33.0 17.03 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.369 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.619 ' HB3' ' HA ' ' A' ' 2' ' ' THR . . . -101.83 46.33 0.94 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.65 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.3 t 61.5 51.2 4.19 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.671 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . 0.759 ' HE1' ' HA ' ' A' ' 11' ' ' GLN . 6.9 p90 -84.38 152.15 24.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.186 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 t -63.12 141.23 58.84 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.9 p 51.92 -126.06 2.38 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.026 0.53 . . . . 0.0 111.452 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.759 ' HA ' ' HE1' ' A' ' 8' ' ' PHE . 18.6 pt20 -173.23 134.96 0.55 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.059 0.457 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.643 ' HH2' ' HA2' ' A' ' 36' ' ' GLY . 22.6 t-105 67.76 135.67 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.729 -1.123 . . . . 0.0 113.105 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 p 40.92 43.88 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 124.547 1.139 . . . . 0.0 112.463 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.0 m -102.36 125.59 35.79 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.945 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.686 ' HA ' ' HB3' ' A' ' 33' ' ' TYR . 72.4 Cg_endo -74.6 50.92 2.5 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.099 2.532 . . . . 0.0 112.643 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.54 21.69 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.173 0.511 . . . . 0.0 110.245 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -76.91 -43.1 36.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.941 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 t 69.42 -51.85 0.61 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.047 0.939 . . . . 0.0 113.252 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.4 mt -68.76 -53.77 19.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.0 -43.34 99.04 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -55.02 -45.62 75.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.441 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.51 -42.23 82.38 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.219 0.533 . . . . 0.0 110.623 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -64.78 -46.35 82.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.886 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.701 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 74.0 m -64.99 -45.64 84.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.819 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 21' ' ' ALA . 82.2 mt -55.2 -36.39 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 111.042 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.37 -35.65 70.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -93.86 28.12 2.51 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.484 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 65.39 38.88 5.49 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -109.34 152.93 24.64 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -66.69 -48.08 70.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.73 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.53 122.4 0.68 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.701 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -86.16 51.89 4.46 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.305 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . 0.686 ' HB3' ' HA ' ' A' ' 15' ' ' PRO . 4.1 p90 -65.55 157.76 28.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.88 0.34 . . . . 0.0 110.518 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 97.2 m -53.84 123.24 11.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.393 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 5.4 m120 -77.65 -150.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.322 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.643 ' HA2' ' HH2' ' A' ' 12' ' ' TRP . . . -79.54 -37.33 23.97 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.918 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.521 ' O ' HG23 ' A' ' 39' ' ' VAL . 9.4 mtpm? -78.49 28.33 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.73 44.4 27.78 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 111.139 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 37' ' ' LYS . 93.3 t -142.32 129.32 19.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 13.8 p -78.09 123.18 26.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.438 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 94.1 t -132.48 130.95 60.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.8 m -58.06 121.8 11.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.375 0.607 . . . . 0.0 111.331 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.459 ' HD3' ' CE1' ' A' ' 33' ' ' TYR . 14.5 ptm180 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.988 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.7 mt . . . . . 0 N--CA 1.454 -0.227 0 CA-C-O 120.602 0.239 . . . . 0.0 111.495 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.92 -48.71 75.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.297 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.441 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -66.53 -36.89 83.81 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.547 0.213 . . . . 0.0 110.708 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.08 -41.74 88.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.306 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -65.7 -38.01 88.04 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.573 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 85.7 m -60.31 -44.14 95.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.886 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 21' ' ' ALA . 88.5 mt -57.64 -33.66 45.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.936 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.76 68.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.206 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -111.25 38.87 2.43 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 60.62 27.02 16.72 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.573 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 82.3 m-85 -103.98 155.81 18.36 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -71.92 -51.01 24.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 155.03 137.68 2.44 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.424 -0.894 . . . . 0.0 112.61 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.33 -83.2 0.18 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.004 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 18.0 t80 53.29 45.36 28.64 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.331 0.586 . . . . 0.0 110.537 179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.58 ' SG ' ' HA ' ' A' ' 38' ' ' ARG . 8.7 t 64.58 116.55 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.769 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.642 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 2.5 m120 -80.59 -154.69 0.1 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.08 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -62.98 -42.97 99.55 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.695 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -76.96 -84.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.824 0.312 . . . . 0.0 110.24 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.58 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 1.6 ppt_? -173.49 14.22 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.2 t -106.3 142.58 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.2 t -81.89 51.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 111.044 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.642 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 61.9 t -67.13 133.77 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 64.1 m -70.61 132.15 45.03 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.063 0.459 . . . . 0.0 110.848 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.939 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.936 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.502 HD12 ' N ' ' A' ' 20' ' ' CYS . 4.3 pp . . . . . 0 N--CA 1.487 1.416 0 N-CA-C 115.033 1.494 . . . . 0.0 115.033 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.502 ' N ' HD12 ' A' ' 19' ' ' LEU . 51.0 t -60.8 -38.97 87.16 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 122.435 0.294 . . . . 0.0 111.33 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.3 -37.26 84.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.852 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.9 77.22 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.819 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -64.2 -40.98 97.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.4 m -64.99 -48.3 74.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.93 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.27 -37.7 74.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.974 0.416 . . . . 0.0 110.457 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.88 -19.77 64.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.408 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.482 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 4.6 mmp_? -113.56 28.19 8.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.096 0.474 . . . . 0.0 110.723 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 60.29 47.71 8.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.384 -0.826 . . . . 0.0 113.102 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -125.04 152.77 43.84 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -67.04 -44.89 79.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.321 0.582 . . . . 0.0 109.913 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.3 137.59 9.52 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.366 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.38 115.01 0.63 Allowed Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.304 -0.951 . . . . 0.0 112.717 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.407 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 62.2 t80 -75.64 132.84 40.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.753 -0.224 . . . . 0.0 110.705 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.439 ' HA ' ' C ' ' A' ' 39' ' ' VAL . 14.0 m 46.43 79.92 0.05 Allowed 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.682 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 7.1 m120 -75.63 -153.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.05 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.427 ' O ' ' HD3' ' A' ' 38' ' ' ARG . . . -62.95 -26.23 68.75 Favored Glycine 0 N--CA 1.452 -0.248 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -76.47 4.55 8.9 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.427 ' HD3' ' O ' ' A' ' 36' ' ' GLY . 1.0 OUTLIER 65.77 11.78 7.84 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.075 0.55 . . . . 0.0 111.575 -179.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.439 ' C ' ' HA ' ' A' ' 34' ' ' CYS . 21.7 t -137.28 152.77 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.411 ' HA ' ' H ' ' A' ' 34' ' ' CYS . 34.3 t -64.25 120.63 12.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.299 0.571 . . . . 0.0 110.42 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.682 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 60.2 t -130.12 141.19 46.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.148 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 89.6 m -74.73 123.66 25.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.309 0.576 . . . . 0.0 111.255 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.0 ptm85 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.339 -0.846 . . . . 0.0 108.732 179.753 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 20' ' ' CYS . 2.6 pt? . . . . . 0 N--CA 1.464 0.243 0 CA-C-O 120.592 0.234 . . . . 0.0 111.577 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.435 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 93.9 m -57.73 -42.39 83.78 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.11 82.04 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.59 -41.48 81.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.949 0.404 . . . . 0.0 110.566 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -63.34 -37.98 89.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.287 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 29' ' ' TYR . 59.9 m -68.36 -51.36 45.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.773 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.3 mt -56.94 -32.79 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.064 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.18 -34.49 66.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.24 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 79.0 mtp180 -103.16 31.64 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.268 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 61.88 28.07 17.13 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.463 ' HB2' ' O ' ' A' ' 24' ' ' CYS . 34.3 m-85 -84.72 165.19 18.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -69.65 -45.02 69.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.324 0.583 . . . . 0.0 109.574 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.36 142.45 4.9 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.519 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.21 140.93 6.79 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.874 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 38.9 t80 -122.46 -43.23 2.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.837 0.351 . . . . 0.0 110.943 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.7 t -156.99 120.22 4.11 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.089 0.471 . . . . 0.0 109.839 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -105.45 -169.17 1.56 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.806 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.84 -26.04 59.95 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.426 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -77.83 -4.39 46.33 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.038 0.535 . . . . 0.0 111.526 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? 62.11 40.91 11.43 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.283 0.563 . . . . 0.0 110.401 -179.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.6 t -139.85 150.61 21.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.562 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 66.3 m -71.55 52.87 0.21 Allowed 'General case' 0 CA--C 1.531 0.215 0 O-C-N 123.592 0.558 . . . . 0.0 111.348 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.72 127.75 27.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.4 m -75.5 115.98 15.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.882 0.849 . . . . 0.0 111.554 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 . . . . . 0 C--O 1.245 0.86 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.228 179.357 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.4 mt . . . . . 0 N--CA 1.466 0.358 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 t -67.76 -35.94 79.61 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.486 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -59.98 -32.81 71.19 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.443 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.65 73.1 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.084 0.468 . . . . 0.0 110.755 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -59.5 -39.08 82.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.641 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.9 m -73.78 -48.78 29.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.601 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 21' ' ' ALA . 87.3 mt -54.05 -43.79 60.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 122.698 0.399 . . . . 0.0 111.331 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.91 71.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.942 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.438 HH11 ' HG3' ' A' ' 27' ' ' ARG . 37.6 mtt85 -92.09 30.75 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.145 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 66.21 12.34 8.49 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 92.2 m-85 -89.57 160.46 16.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.946 -0.471 . . . . 0.0 110.388 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -72.8 -48.38 38.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.927 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.87 -146.33 7.8 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.63 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.64 55.75 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.715 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -58.02 -52.77 64.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.105 0.478 . . . . 0.0 110.484 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.5 t -171.5 124.15 0.57 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.485 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 1.9 m120 -99.66 -174.77 2.8 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.757 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.84 -25.71 56.6 Favored Glycine 0 C--N 1.33 0.206 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.663 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -72.8 6.4 2.57 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.513 0.325 . . . . 0.0 111.217 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 59.91 36.4 21.78 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.202 0.525 . . . . 0.0 110.672 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.1 p -159.47 158.94 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.85 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.9 t -66.91 118.11 9.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.295 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.485 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 46.5 t -137.43 132.2 45.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 84.8 m -67.59 133.66 49.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.437 0.637 . . . . 0.0 112.133 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 . . . . . 0 C--O 1.245 0.83 0 CA-C-O 117.77 -1.11 . . . . 0.0 108.828 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.1 mt . . . . . 0 N--CA 1.467 0.379 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 15.5 t -60.08 -37.46 79.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.49 0.662 . . . . 0.0 109.309 179.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.537 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -58.63 -33.5 70.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.735 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.66 -43.16 76.01 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 111.579 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -68.63 -35.34 77.17 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.5 m -66.78 -38.13 85.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.896 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 21' ' ' ALA . 88.6 mt -59.26 -35.45 58.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.33 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.17 -33.5 73.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.176 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.524 ' HB2' ' HD2' ' A' ' 29' ' ' TYR . 69.0 mtt-85 -87.31 28.16 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.19 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 20.7 ptt-85 52.19 28.83 5.87 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.641 1.177 . . . . 0.0 112.776 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.524 ' HD2' ' HB2' ' A' ' 27' ' ' ARG . 44.1 m-85 -96.22 157.96 15.66 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -64.18 -40.62 96.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.292 0.568 . . . . 0.0 109.766 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.4 ' O ' ' HA ' ' A' ' 42' ' ' CYS . . . 177.2 -145.14 7.09 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.418 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.01 36.88 0.56 Allowed Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.43 -0.891 . . . . 0.0 111.912 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 11.6 t80 -64.23 128.25 34.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -18.33 119.18 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 O-C-N 125.025 1.453 . . . . 0.0 113.279 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.464 ' HB3' ' H ' ' A' ' 36' ' ' GLY . 1.7 m120 -92.99 -150.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.727 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.464 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -68.06 -34.88 82.63 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.412 ' C ' ' H ' ' A' ' 39' ' ' VAL . 20.8 tptm -69.41 -3.07 12.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.042 -0.579 . . . . 0.0 111.214 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 75.19 -24.44 0.22 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.624 0.77 . . . . 0.0 111.585 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.412 ' H ' ' C ' ' A' ' 37' ' ' LYS . 8.2 p -88.26 158.3 3.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.345 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.9 t -61.72 124.09 19.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.094 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.442 ' HB ' ' CG ' ' A' ' 35' ' ' ASN . 77.1 t -137.21 125.05 32.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 61.8 m -64.25 126.2 26.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.455 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 117.955 -1.022 . . . . 0.0 108.936 179.326 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 pp . . . . . 0 CA--C 1.521 -0.149 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -66.69 -6.39 15.47 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.096 0.474 . . . . 0.0 110.494 179.099 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.15 82.49 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.333 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.25 -48.05 71.58 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -58.48 -42.57 87.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.019 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 80.1 m -68.06 -58.94 3.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.345 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.511 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 87.4 mt -54.9 -37.52 41.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.934 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.66 -35.07 75.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.54 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.9 mtt85 -97.84 31.12 2.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.822 0.344 . . . . 0.0 111.803 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 65.33 29.48 11.52 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.511 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 56.4 m-85 -104.56 159.38 15.8 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -82.42 -44.11 16.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.108 0.48 . . . . 0.0 110.363 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 43' ' ' ARG . . . 149.58 128.0 1.59 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.755 ' HA2' ' HG3' ' A' ' 43' ' ' ARG . . . -74.39 -46.4 20.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 114.007 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 36.9 t80 55.14 43.04 30.13 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.752 0.787 . . . . 0.0 110.171 -179.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.7 t 67.96 133.41 0.03 OUTLIER 'General case' 0 C--N 1.34 0.194 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.599 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -119.73 -168.25 1.56 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.655 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.75 -38.09 80.94 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 113.394 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 39' ' ' VAL . 30.5 mtpp -69.42 -8.1 43.64 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 8.5 tpt180 62.26 36.53 14.7 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.876 0.846 . . . . 0.0 109.815 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 40' ' ' CYS . 23.0 t -129.11 165.36 29.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.484 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.445 ' N ' HG12 ' A' ' 39' ' ' VAL . 1.8 m -70.44 61.82 0.23 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.881 0.372 . . . . 0.0 111.422 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.704 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 22.5 t -83.86 131.08 34.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 95.6 m -87.11 136.26 32.99 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.755 ' HG3' ' HA2' ' A' ' 32' ' ' GLY . 77.6 mtm180 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.128 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pt? . . . . . 0 N--CA 1.464 0.235 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 t -51.76 -32.28 30.16 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -57.13 -30.08 64.11 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.366 0.135 . . . . 0.0 111.366 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.99 -40.63 73.61 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.856 0.36 . . . . 0.0 110.785 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -64.01 -39.17 93.5 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 72.8 m -66.95 -44.47 80.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.316 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 21' ' ' ALA . 88.0 mt -58.02 -35.44 52.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.902 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.07 -39.94 79.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.285 0.564 . . . . 0.0 109.988 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -92.3 16.46 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.528 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 64.9 35.22 8.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.653 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 35.8 m-85 -97.99 153.5 18.34 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 176.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -63.15 -44.6 95.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.249 0.547 . . . . 0.0 110.778 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.55 ' O ' ' HA ' ' A' ' 42' ' ' CYS . . . 172.84 -145.2 8.31 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.2 45.85 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 119.699 -1.239 . . . . 0.0 113.374 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 29.9 p90 -65.17 130.34 42.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.644 0.222 . . . . 0.0 110.449 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -1.53 98.45 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 O-C-N 125.167 1.542 . . . . 0.0 113.857 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.576 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 2.3 m120 -79.28 -156.32 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.094 -178.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -60.47 -39.59 96.54 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.858 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HB3' HG12 ' A' ' 39' ' ' VAL . 28.2 tptp -73.75 3.96 5.79 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.182 0.515 . . . . 0.0 110.431 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.9 mpp_? 60.45 37.53 19.79 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.8 0.81 . . . . 0.0 110.16 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.476 HG12 ' HB3' ' A' ' 37' ' ' LYS . 9.8 p -143.32 153.94 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.356 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.9 t -66.07 122.18 16.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.985 0.422 . . . . 0.0 110.596 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.576 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 65.1 t -136.3 115.41 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 77.0 m -61.2 118.33 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.092 0.472 . . . . 0.0 110.883 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.462 ' HD3' ' OD1' ' A' ' 35' ' ' ASN . 17.4 mmm180 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.628 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.9 mt . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 33' ' ' TYR . 48.9 t -58.12 -40.35 81.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.857 0.36 . . . . 0.0 110.81 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.07 70.01 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.798 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.54 -43.57 80.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.904 0.383 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -71.34 -37.01 71.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.7 m -65.42 -46.67 79.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.998 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.69 -36.75 72.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.42 -40.1 89.82 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.727 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.8 mmt-85 -84.7 17.12 2.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.035 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 64.52 29.48 13.22 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -92.75 -168.54 1.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -89.47 -57.25 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.89 0.376 . . . . 0.0 110.068 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.94 148.04 5.51 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.436 -0.888 . . . . 0.0 113.023 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.471 ' O ' ' HB3' ' A' ' 20' ' ' CYS . . . 177.93 -150.94 10.26 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.485 ' HA ' ' HB3' ' A' ' 20' ' ' CYS . 10.5 t80 -150.43 -129.26 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 56.6 m -78.36 109.83 12.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.161 0.505 . . . . 0.0 110.488 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.493 ' HB3' ' H ' ' A' ' 36' ' ' GLY . 18.9 m-80 -87.94 -147.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.384 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.493 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -58.32 -30.78 65.04 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.311 -0.471 . . . . 0.0 112.518 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -67.71 -13.14 61.85 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 65.0 32.38 10.53 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.384 0.611 . . . . 0.0 110.397 -178.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 29.7 t -151.64 159.74 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 t -51.47 111.28 0.56 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.067 0.461 . . . . 0.0 110.313 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 39' ' ' VAL . 54.6 t -126.25 128.48 71.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.825 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.1 m -83.12 139.31 33.27 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.339 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.099 -179.312 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt . . . . . 0 N--CA 1.472 0.635 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 82.8 m -56.43 -37.8 70.72 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 122.505 0.322 . . . . 0.0 111.494 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -54.49 -44.33 72.55 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.247 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.28 -49.74 73.37 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.639 0.257 . . . . 0.0 111.491 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -64.39 -42.02 96.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.118 0.485 . . . . 0.0 110.588 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.573 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 82.5 m -65.21 -48.68 72.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.248 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.39 -33.99 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.0 0.428 . . . . 0.0 110.293 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.47 -31.06 65.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.05 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -109.94 28.46 8.57 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.58 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 63.41 37.79 10.49 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.573 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 79.8 m-85 -107.33 153.2 23.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -68.9 -45.58 70.55 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.68 -148.81 9.24 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.05 52.75 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 119.423 -1.37 . . . . 0.0 114.054 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 41.1 t80 -83.16 121.44 27.07 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.414 179.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.449 ' HA ' ' C ' ' A' ' 39' ' ' VAL . 83.4 m 38.17 84.04 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 O-C-N 124.246 0.966 . . . . 0.0 113.352 178.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.462 ' HB3' ' H ' ' A' ' 36' ' ' GLY . 3.3 m120 -71.23 -158.64 0.04 OUTLIER 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.026 0.441 . . . . 0.0 111.375 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.462 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -58.63 -35.46 81.04 Favored Glycine 0 C--N 1.33 0.209 0 CA-C-N 116.084 -0.507 . . . . 0.0 113.27 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 37' ' ' LYS . 3.6 mmmp? -74.15 15.04 0.35 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 54.39 36.3 25.13 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.1 0.476 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.449 ' C ' ' HA ' ' A' ' 34' ' ' CYS . 9.6 p -149.21 150.02 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.722 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -63.16 120.68 11.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.72 0.295 . . . . 0.0 110.838 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.4 t -145.66 126.01 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HB3' ' CG ' ' A' ' 29' ' ' TYR . 97.4 m -67.82 139.22 56.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.953 0.406 . . . . 0.0 111.147 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.692 -0.671 . . . . 0.0 110.397 -179.413 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.4 mt . . . . . 0 C--O 1.233 0.196 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.0 -43.34 99.04 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -55.02 -45.62 75.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.441 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.51 -42.23 82.38 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.219 0.533 . . . . 0.0 110.623 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -64.78 -46.35 82.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.886 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.701 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 74.0 m -64.99 -45.64 84.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.819 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 21' ' ' ALA . 82.2 mt -55.2 -36.39 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 111.042 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.37 -35.65 70.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -93.86 28.12 2.51 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.484 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 65.39 38.88 5.49 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -109.34 152.93 24.64 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -66.69 -48.08 70.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.73 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.53 122.4 0.68 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.701 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -86.16 51.89 4.46 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.305 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . 0.459 ' CE1' ' HD3' ' A' ' 43' ' ' ARG . 4.1 p90 -65.55 157.76 28.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.88 0.34 . . . . 0.0 110.518 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 97.2 m -53.84 123.24 11.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.393 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 5.4 m120 -77.65 -150.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.322 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.54 -37.33 23.97 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.918 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.521 ' O ' HG23 ' A' ' 39' ' ' VAL . 9.4 mtpm? -78.49 28.33 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.73 44.4 27.78 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 111.139 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 37' ' ' LYS . 93.3 t -142.32 129.32 19.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 13.8 p -78.09 123.18 26.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.438 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 94.1 t -132.48 130.95 60.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.8 m -58.06 121.8 11.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.375 0.607 . . . . 0.0 111.331 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.459 ' HD3' ' CE1' ' A' ' 33' ' ' TYR . 14.5 ptm180 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.988 -179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.048 0 N-CA-C 109.877 -0.416 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.472 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 7.9 m -58.6 132.29 53.37 Favored 'General case' 0 C--O 1.234 0.28 0 O-C-N 123.071 0.232 . . . . 0.0 110.437 179.52 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.472 ' HB3' ' O ' ' A' ' 2' ' ' THR . 6.9 t 70.73 -60.55 0.5 Allowed 'General case' 0 N--CA 1.467 0.397 0 O-C-N 123.712 0.633 . . . . 0.0 111.185 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -83.69 62.27 6.78 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 35.0 tp -102.11 142.28 33.62 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.744 -177.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.25 -135.74 1.34 Allowed 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.306 179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 19.3 m -73.47 94.13 2.06 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -59.81 135.24 57.63 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.459 -0.791 . . . . 0.0 112.779 -178.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.0 p -170.99 43.51 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.776 -1.102 . . . . 0.0 109.643 -179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.3 m -59.35 133.02 55.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.983 -179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -82.3 53.69 2.35 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.414 0.626 . . . . 0.0 110.764 179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.462 ' CD1' HG22 ' A' ' 13' ' ' VAL . 6.1 t-105 -163.18 -157.34 0.42 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 12' ' ' TRP . 28.4 m -71.93 132.42 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.541 0 CA-C-O 120.958 0.408 . . . . 0.0 110.957 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.6 p -61.1 137.78 94.19 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.627 ' HB3' ' HB2' ' A' ' 34' ' ' CYS . 19.5 Cg_endo -61.55 -42.39 33.55 Favored 'Trans proline' 0 N--CA 1.46 -0.444 0 C-N-CA 122.48 2.12 . . . . 0.0 112.235 -179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 19.8 p30 34.84 58.9 0.71 Allowed 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.138 0.975 . . . . 0.0 112.981 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.548 ' HB3' ' HB2' ' A' ' 33' ' ' TYR . 9.9 p-10 -49.53 -34.8 18.34 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.299 179.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.3 m -52.0 -28.17 16.04 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.97 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 42.7 mt -120.69 -48.09 2.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.603 -0.272 . . . . 0.0 111.495 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 36.7 t -63.92 -48.71 75.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.297 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 17' ' ' ASP . . . -66.53 -36.89 83.81 Favored 'General case' 0 CA--C 1.518 -0.286 0 CA-C-O 120.547 0.213 . . . . 0.0 110.708 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -59.08 -41.74 88.72 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.306 179.167 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -65.7 -38.01 88.04 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 178.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.573 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 85.7 m -60.31 -44.14 95.7 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.957 -0.565 . . . . 0.0 109.886 178.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 21' ' ' ALA . 88.5 mt -57.64 -33.66 45.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.936 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.41 -28.76 68.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.206 179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 57.6 mtt-85 -111.25 38.87 2.43 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.164 0.431 . . . . 0.0 112.164 -179.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 58.9 mtp85 60.62 27.02 16.72 Favored 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 113.618 0.97 . . . . 0.0 113.618 178.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.573 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 82.3 m-85 -103.98 155.81 18.36 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 30' ' ' ARG . 0.6 OUTLIER -71.92 -51.01 24.21 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 179.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 155.03 137.68 2.44 Favored Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.424 -0.894 . . . . 0.0 112.61 179.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -69.33 -83.2 0.18 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.93 -0.652 . . . . 0.0 112.004 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.548 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . 18.0 t80 53.29 45.36 28.64 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.331 0.586 . . . . 0.0 110.537 179.554 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.627 ' HB2' ' HB3' ' A' ' 15' ' ' PRO . 8.7 t 64.58 116.55 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 114.864 -1.062 . . . . 0.0 110.769 -179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.642 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 2.5 m120 -80.59 -154.69 0.1 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.035 -0.53 . . . . 0.0 112.08 -178.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -62.98 -42.97 99.55 Favored Glycine 0 N--CA 1.447 -0.61 0 CA-C-N 115.938 -0.574 . . . . 0.0 112.695 -179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -76.96 -84.19 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.824 0.312 . . . . 0.0 110.24 179.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.58 ' HA ' ' SG ' ' A' ' 34' ' ' CYS . 1.6 ppt_? -173.49 14.22 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 112.478 0.547 . . . . 0.0 112.478 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.2 t -106.3 142.58 18.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 109.92 -0.4 . . . . 0.0 109.92 179.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 7.2 t -81.89 51.15 1.67 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.94 0.4 . . . . 0.0 111.044 -179.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.642 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 61.9 t -67.13 133.77 31.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.899 -0.408 . . . . 0.0 109.899 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 64.1 m -70.61 132.15 45.03 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.063 0.459 . . . . 0.0 110.848 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.939 0 CA-C-N 115.453 -0.794 . . . . 0.0 108.936 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 13.2 t 43.06 -148.48 0.04 OUTLIER 'General case' 0 CA--C 1.543 0.685 0 O-C-N 124.214 0.946 . . . . 0.0 111.992 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.848 ' HA ' ' HB3' ' A' ' 34' ' ' CYS . 66.5 m -77.44 -45.24 26.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 122.29 -0.256 . . . . 0.0 111.52 -179.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.46 ' HB2' ' CG ' ' A' ' 38' ' ' ARG . 30.5 t70 -149.79 161.7 41.72 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.515 0.198 . . . . 0.0 110.603 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.7 mp -64.76 -33.14 75.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.487 179.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.38 -30.19 70.51 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.219 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.7 m -74.39 128.94 36.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.155 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.74 5.81 0.09 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.308 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.2 m -79.1 101.33 7.82 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.578 -0.527 . . . . 0.0 109.578 178.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.552 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 16.4 m 58.34 -140.81 0.74 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 119.073 -0.489 . . . . 0.0 109.863 -178.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.552 ' HG2' ' O ' ' A' ' 10' ' ' SER . 2.4 pt20 54.37 122.93 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 124.891 1.276 . . . . 0.0 113.168 179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.441 ' HA ' ' CE3' ' A' ' 12' ' ' TRP . 7.0 t-105 -67.96 145.66 54.32 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.052 -0.976 . . . . 0.0 110.274 179.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 13.4 p -73.53 47.01 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 CA-C-O 121.916 0.865 . . . . 0.0 112.265 -178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 20.1 p -136.4 137.83 25.3 Favored Pre-proline 0 C--N 1.321 -0.631 0 O-C-N 121.743 -0.598 . . . . 0.0 110.581 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.76 -42.86 60.31 Favored 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.714 2.276 . . . . 0.0 111.9 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 71.55 -45.98 0.63 Allowed 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.428 0.691 . . . . 0.0 110.809 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.993 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 64.0 m-20 61.13 42.24 12.6 Favored 'General case' 0 C--O 1.234 0.245 0 CA-C-N 115.679 -0.692 . . . . 0.0 110.853 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.639 ' O ' ' HG ' ' A' ' 19' ' ' LEU . 0.6 OUTLIER -66.26 118.96 10.7 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.677 -179.693 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.639 ' HG ' ' O ' ' A' ' 18' ' ' SER . 4.3 pp 56.4 -38.99 0.03 OUTLIER 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 126.144 1.778 . . . . 0.0 115.033 179.421 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.502 ' N ' HD12 ' A' ' 19' ' ' LEU . 51.0 t -60.8 -38.97 87.16 Favored 'General case' 0 C--N 1.319 -0.744 0 C-N-CA 122.435 0.294 . . . . 0.0 111.33 -179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.993 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . -62.3 -37.26 84.85 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.852 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.78 -43.9 77.22 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.819 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.2 t-160 -64.2 -40.98 97.22 Favored 'General case' 0 C--N 1.33 -0.248 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 179.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 81.4 m -64.99 -48.3 74.46 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.93 179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 88.4 mt -60.27 -37.7 74.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 120.974 0.416 . . . . 0.0 110.457 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.88 -19.77 64.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.408 179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.482 ' HA ' ' NE ' ' A' ' 27' ' ' ARG . 4.6 mmp_? -113.56 28.19 8.97 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.096 0.474 . . . . 0.0 110.723 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.2 mtp180 60.29 47.71 8.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.384 -0.826 . . . . 0.0 113.102 179.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.5 m-85 -125.04 152.77 43.84 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 88.4 mtm180 -67.04 -44.89 79.05 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 121.321 0.582 . . . . 0.0 109.913 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 103.3 137.59 9.52 Favored Glycine 0 N--CA 1.444 -0.805 0 CA-C-N 115.42 -0.809 . . . . 0.0 111.366 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -162.38 115.01 0.63 Allowed Glycine 0 N--CA 1.444 -0.786 0 C-N-CA 120.304 -0.951 . . . . 0.0 112.717 -179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.407 ' HA ' ' SG ' ' A' ' 40' ' ' CYS . 62.2 t80 -75.64 132.84 40.86 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.753 -0.224 . . . . 0.0 110.705 179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.848 ' HB3' ' HA ' ' A' ' 3' ' ' CYS . 14.0 m 46.43 79.92 0.05 Allowed 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 113.054 0.761 . . . . 0.0 113.054 178.725 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.682 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 7.1 m120 -75.63 -153.92 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.05 179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.427 ' O ' ' HD3' ' A' ' 38' ' ' ARG . . . -62.95 -26.23 68.75 Favored Glycine 0 N--CA 1.452 -0.248 0 N-CA-C 111.703 -0.559 . . . . 0.0 111.703 178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 49.4 mmtm -76.47 4.55 8.9 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 111.839 0.311 . . . . 0.0 111.839 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.46 ' CG ' ' HB2' ' A' ' 4' ' ' ASP . 1.0 OUTLIER 65.77 11.78 7.84 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 123.075 0.55 . . . . 0.0 111.575 -179.702 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.439 ' C ' ' HA ' ' A' ' 34' ' ' CYS . 21.7 t -137.28 152.77 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.411 ' HA ' ' H ' ' A' ' 34' ' ' CYS . 34.3 t -64.25 120.63 12.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.299 0.571 . . . . 0.0 110.42 -179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.682 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 60.2 t -130.12 141.19 46.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 115.564 -0.743 . . . . 0.0 109.148 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 89.6 m -74.73 123.66 25.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.309 0.576 . . . . 0.0 111.255 -179.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 7.0 ptm85 . . . . . 0 C--O 1.246 0.912 0 CA-C-N 115.339 -0.846 . . . . 0.0 108.732 179.753 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.055 0 CA-C-O 120.659 0.266 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.7 t -170.71 -41.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.638 -0.256 . . . . 0.0 111.618 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.415 ' HA ' ' HG3' ' A' ' 38' ' ' ARG . 88.5 m -153.55 157.38 39.66 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 110.432 -0.21 . . . . 0.0 110.432 -179.047 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.456 ' O ' ' HB2' ' A' ' 5' ' ' LEU . 11.7 t70 -59.92 142.31 53.91 Favored 'General case' 0 C--O 1.236 0.376 0 N-CA-C 109.057 -0.719 . . . . 0.0 109.057 178.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 4' ' ' ASP . 96.3 mt 76.55 -41.29 0.4 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.45 0.7 . . . . 0.0 110.371 -177.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.687 ' HA ' ' HB2' ' A' ' 12' ' ' TRP . . . -67.36 -19.44 65.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.448 178.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.5 m -57.35 -36.65 71.45 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.38 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.46 ' HB2' HE21 ' A' ' 11' ' ' GLN . 15.7 m-85 -72.46 136.39 45.97 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.62 179.235 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.5 p -67.77 133.02 48.51 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 112.366 0.506 . . . . 0.0 112.366 -178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.7 t 59.36 65.12 1.22 Allowed 'General case' 0 CA--C 1.533 0.303 0 CA-C-N 115.224 -0.898 . . . . 0.0 112.33 178.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.614 ' HG2' ' HD1' ' A' ' 12' ' ' TRP . 8.0 tt0 -149.76 -50.38 0.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.98 0.419 . . . . 0.0 111.091 178.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.687 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . 24.0 m95 -126.65 49.06 2.08 Favored 'General case' 0 C--N 1.314 -0.94 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.151 179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.6 t -76.92 -38.24 28.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 2.5 m -75.3 139.78 72.22 Favored Pre-proline 0 C--N 1.324 -0.501 0 CA-C-N 114.91 -1.041 . . . . 0.0 109.995 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.82 -18.64 57.6 Favored 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.668 2.245 . . . . 0.0 111.721 179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 22.6 t-20 73.77 -46.1 0.62 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.81 0.844 . . . . 0.0 110.976 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 56.08 49.57 15.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.024 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 5.7 p -68.24 -48.34 65.35 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.435 ' HG ' ' N ' ' A' ' 20' ' ' CYS . 2.6 pt? -153.33 -39.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 121.017 -0.273 . . . . 0.0 111.577 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.435 ' N ' ' HG ' ' A' ' 19' ' ' LEU . 93.9 m -57.73 -42.39 83.78 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 -178.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.31 -37.11 82.04 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.59 -41.48 81.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.949 0.404 . . . . 0.0 110.566 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 12.8 t-160 -63.34 -37.98 89.38 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.287 178.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 29' ' ' TYR . 59.9 m -68.36 -51.36 45.26 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.773 179.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 85.3 mt -56.94 -32.79 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.064 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -56.18 -34.49 66.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.24 179.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HB2' ' CD1' ' A' ' 29' ' ' TYR . 79.0 mtp180 -103.16 31.64 4.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.268 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 23.0 mmt85 61.88 28.07 17.13 Favored 'General case' 0 N--CA 1.468 0.428 0 N-CA-C 113.219 0.822 . . . . 0.0 113.219 179.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.463 ' HB2' ' O ' ' A' ' 24' ' ' CYS . 34.3 m-85 -84.72 165.19 18.06 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 178.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.3 mtt-85 -69.65 -45.02 69.37 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.324 0.583 . . . . 0.0 109.574 178.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 132.36 142.45 4.9 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.519 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -163.21 140.93 6.79 Favored Glycine 0 N--CA 1.445 -0.725 0 C-N-CA 120.647 -0.787 . . . . 0.0 111.874 -179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.449 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 38.9 t80 -122.46 -43.23 2.3 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.837 0.351 . . . . 0.0 110.943 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 8.7 t -156.99 120.22 4.11 Favored 'General case' 0 C--N 1.316 -0.868 0 CA-C-O 121.089 0.471 . . . . 0.0 109.839 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -105.45 -169.17 1.56 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.806 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -58.84 -26.04 59.95 Favored Glycine 0 CA--C 1.518 0.261 0 C-N-CA 121.117 -0.564 . . . . 0.0 112.426 179.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -77.83 -4.39 46.33 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.038 0.535 . . . . 0.0 111.526 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.415 ' HG3' ' HA ' ' A' ' 3' ' ' CYS . 1.1 mpp_? 62.11 40.91 11.43 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.283 0.563 . . . . 0.0 110.401 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 67.6 t -139.85 150.61 21.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.562 -179.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.449 ' HA ' ' O ' ' A' ' 33' ' ' TYR . 66.3 m -71.55 52.87 0.21 Allowed 'General case' 0 CA--C 1.531 0.215 0 O-C-N 123.592 0.558 . . . . 0.0 111.348 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 61.5 t -65.72 127.75 27.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 57.4 m -75.5 115.98 15.73 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.882 0.849 . . . . 0.0 111.554 -179.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 49.2 mmm-85 . . . . . 0 C--O 1.245 0.86 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.228 179.357 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.002 0 CA-C-O 120.886 0.374 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.461 ' HB ' ' H ' ' A' ' 3' ' ' CYS . 1.0 OUTLIER -75.19 -130.13 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.105 179.755 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.461 ' H ' ' HB ' ' A' ' 2' ' ' THR . 59.5 m -66.13 -38.96 89.44 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-O 121.543 0.687 . . . . 0.0 109.269 179.224 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -75.37 129.82 38.0 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 114.875 -1.057 . . . . 0.0 109.706 178.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 30.5 tp -158.24 -45.63 0.06 Allowed 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.08 -41.61 90.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.536 178.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 3.6 m -96.03 123.38 39.61 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.323 -0.853 . . . . 0.0 109.629 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -87.35 -30.16 21.01 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.951 0.405 . . . . 0.0 110.723 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.4 m 54.57 -139.9 0.97 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.28 -0.873 . . . . 0.0 111.058 179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 23.5 t -178.69 121.69 0.09 Allowed 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 55.58 61.39 2.86 Favored 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.066 0.46 . . . . 0.0 109.771 -178.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 15.8 t-105 -74.6 61.18 0.94 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.431 -0.804 . . . . 0.0 111.236 -178.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 10.8 m -87.69 136.72 22.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.818 179.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 11.0 m 74.82 135.01 0.05 OUTLIER Pre-proline 0 CA--C 1.532 0.267 0 O-C-N 123.561 0.538 . . . . 0.0 110.478 -178.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -51.01 -33.54 42.97 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.79 2.326 . . . . 0.0 112.559 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 1.9 m120 53.25 45.81 27.76 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-O 121.499 0.666 . . . . 0.0 111.366 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 26.2 t70 -102.71 -51.11 3.38 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.192 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.5 t 68.99 -51.74 0.59 Allowed 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 114.163 1.172 . . . . 0.0 114.163 178.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 92.4 mt -68.17 -66.42 0.57 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 -177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 1.5 t -67.76 -35.94 79.61 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 178.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.486 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -59.98 -32.81 71.19 Favored 'General case' 0 C--O 1.221 -0.428 0 CA-C-N 114.666 -1.152 . . . . 0.0 111.443 179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.81 -43.65 73.1 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.084 0.468 . . . . 0.0 110.755 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.5 t-160 -59.5 -39.08 82.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.641 178.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 61.9 m -73.78 -48.78 29.06 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.601 -179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.486 HG13 ' O ' ' A' ' 21' ' ' ALA . 87.3 mt -54.05 -43.79 60.32 Favored 'Isoleucine or valine' 0 C--O 1.234 0.265 0 C-N-CA 122.698 0.399 . . . . 0.0 111.331 -179.606 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.89 -33.91 71.05 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.942 179.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.438 HH11 ' HG3' ' A' ' 27' ' ' ARG . 37.6 mtt85 -92.09 30.75 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.941 -0.572 . . . . 0.0 112.145 -179.626 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 66.21 12.34 8.49 Favored 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 92.2 m-85 -89.57 160.46 16.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 121.946 -0.471 . . . . 0.0 110.388 178.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 -72.8 -48.38 38.59 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.927 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.87 -146.33 7.8 Favored Glycine 0 N--CA 1.446 -0.666 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.63 179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 166.64 55.75 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.275 -0.964 . . . . 0.0 112.715 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -58.02 -52.77 64.15 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.105 0.478 . . . . 0.0 110.484 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 44.5 t -171.5 124.15 0.57 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.485 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 1.9 m120 -99.66 -174.77 2.8 Favored 'General case' 0 C--N 1.322 -0.623 0 C-N-CA 121.054 -0.259 . . . . 0.0 110.757 -178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -57.84 -25.71 56.6 Favored Glycine 0 C--N 1.33 0.206 0 CA-C-N 116.38 -0.373 . . . . 0.0 112.663 179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -72.8 6.4 2.57 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 122.513 0.325 . . . . 0.0 111.217 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.443 ' NH1' ' HA ' ' A' ' 3' ' ' CYS . 33.8 mmt180 59.91 36.4 21.78 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.202 0.525 . . . . 0.0 110.672 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.1 p -159.47 158.94 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.85 -178.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.9 t -66.91 118.11 9.93 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.295 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.485 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 46.5 t -137.43 132.2 45.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 108.384 -0.969 . . . . 0.0 108.384 179.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 84.8 m -67.59 133.66 49.81 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.437 0.637 . . . . 0.0 112.133 -178.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 . . . . . 0 C--O 1.245 0.83 0 CA-C-O 117.77 -1.11 . . . . 0.0 108.828 179.997 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.785 0.326 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.574 ' HA ' ' O ' ' A' ' 36' ' ' GLY . 75.8 p 50.88 -150.64 0.25 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.687 0.795 . . . . 0.0 112.416 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.445 ' HB2' ' HD2' ' A' ' 38' ' ' ARG . 8.4 t 179.58 -42.31 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.196 -1.039 . . . . 0.0 108.196 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.83 ' HB2' ' HA ' ' A' ' 35' ' ' ASN . 51.1 t0 -61.13 137.13 58.24 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 114.867 -1.06 . . . . 0.0 109.739 178.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.41 ' HA ' ' CE1' ' A' ' 8' ' ' PHE . 43.5 tp 71.55 -42.44 0.53 Allowed 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.697 0.799 . . . . 0.0 111.799 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.43 -42.84 74.45 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 111.709 0.263 . . . . 0.0 111.709 -179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 21.5 t -65.8 -63.56 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.7 -178.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.41 ' CE1' ' HA ' ' A' ' 5' ' ' LEU . 16.4 p90 -77.14 142.75 39.55 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.878 0.37 . . . . 0.0 111.601 -179.433 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -163.76 53.54 0.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.311 0.577 . . . . 0.0 109.624 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 22.6 t -175.35 -152.38 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.041 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -80.56 58.48 3.23 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.47 0.652 . . . . 0.0 110.536 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 25.9 m95 -83.5 63.37 7.31 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.286 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.7 t -58.15 121.65 6.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.226 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.9 p 61.59 144.28 0.06 OUTLIER Pre-proline 0 CA--C 1.536 0.426 0 C-N-CA 124.518 1.127 . . . . 0.0 112.059 -178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.868 ' HG2' ' HA3' ' A' ' 31' ' ' GLY . 74.2 Cg_exo -52.43 120.2 7.04 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.819 2.346 . . . . 0.0 112.531 -178.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -72.93 30.65 0.06 Allowed 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.177 0.513 . . . . 0.0 111.548 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.512 ' OD2' ' HB3' ' A' ' 20' ' ' CYS . 23.7 t70 -91.84 -46.04 8.07 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.74 179.591 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.0 p 61.44 -55.31 0.11 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 115.055 1.502 . . . . 0.0 115.055 178.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.99 -69.35 0.36 Allowed 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 118.45 0.568 . . . . 0.0 112.392 -178.022 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.512 ' HB3' ' OD2' ' A' ' 17' ' ' ASP . 15.5 t -60.08 -37.46 79.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.49 0.662 . . . . 0.0 109.309 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.537 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -58.63 -33.5 70.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 114.9 -1.046 . . . . 0.0 111.735 179.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.66 -43.16 76.01 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.77 0.319 . . . . 0.0 111.579 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.7 t-160 -68.63 -35.34 77.17 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 72.5 m -66.78 -38.13 85.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.516 -0.765 . . . . 0.0 110.896 178.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 21' ' ' ALA . 88.6 mt -59.26 -35.45 58.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.33 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.17 -33.5 73.54 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.176 178.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.524 ' HB2' ' HD2' ' A' ' 29' ' ' TYR . 69.0 mtt-85 -87.31 28.16 0.98 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.19 178.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 27' ' ' ARG . 20.7 ptt-85 52.19 28.83 5.87 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.641 1.177 . . . . 0.0 112.776 -179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.524 ' HD2' ' HB2' ' A' ' 27' ' ' ARG . 44.1 m-85 -96.22 157.96 15.66 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 177.495 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 66.3 mtt85 -64.18 -40.62 96.49 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.292 0.568 . . . . 0.0 109.766 179.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.868 ' HA3' ' HG2' ' A' ' 15' ' ' PRO . . . 177.2 -145.14 7.09 Favored Glycine 0 N--CA 1.441 -0.999 0 CA-C-N 115.406 -0.816 . . . . 0.0 111.418 179.245 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -157.01 36.88 0.56 Allowed Glycine 0 N--CA 1.443 -0.86 0 C-N-CA 120.43 -0.891 . . . . 0.0 111.912 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.751 ' HB2' ' HB3' ' A' ' 15' ' ' PRO . 11.6 t80 -64.23 128.25 34.97 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.138 -0.69 . . . . 0.0 109.138 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 21.4 p -18.33 119.18 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.94 0 O-C-N 125.025 1.453 . . . . 0.0 113.279 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.83 ' HA ' ' HB2' ' A' ' 4' ' ' ASP . 1.7 m120 -92.99 -150.96 0.28 Allowed 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.525 -0.47 . . . . 0.0 110.727 -179.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.574 ' O ' ' HA ' ' A' ' 2' ' ' THR . . . -68.06 -34.88 82.63 Favored Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.412 ' C ' ' H ' ' A' ' 39' ' ' VAL . 20.8 tptm -69.41 -3.07 12.77 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.042 -0.579 . . . . 0.0 111.214 179.674 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.445 ' HD2' ' HB2' ' A' ' 3' ' ' CYS . 25.9 tpt180 75.19 -24.44 0.22 Allowed 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.624 0.77 . . . . 0.0 111.585 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.412 ' H ' ' C ' ' A' ' 37' ' ' LYS . 8.2 p -88.26 158.3 3.05 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.345 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.9 t -61.72 124.09 19.75 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.094 179.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.442 ' HB ' ' CG ' ' A' ' 35' ' ' ASN . 77.1 t -137.21 125.05 32.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 61.8 m -64.25 126.2 26.99 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.455 -178.573 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 . . . . . 0 C--O 1.249 1.05 0 CA-C-O 117.955 -1.022 . . . . 0.0 108.936 179.326 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.676 ' HB3' ' HB2' ' A' ' 4' ' ' ASP . . . . . . . . 0 N--CA 1.477 0.906 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.22 -48.86 75.62 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.725 0.298 . . . . 0.0 111.387 -179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 67.5 m -112.87 -52.3 2.79 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.517 -0.31 . . . . 0.0 110.942 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.676 ' HB2' ' HB3' ' A' ' 1' ' ' ALA . 7.4 t70 56.94 -138.48 0.96 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 69.5 mt -124.58 -112.97 0.3 Allowed 'General case' 0 C--N 1.316 -0.855 0 CA-C-O 119.736 -0.173 . . . . 0.0 110.585 179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 67.12 -70.5 0.11 Allowed 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 123.308 0.643 . . . . 0.0 110.384 -178.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 10.0 t -88.67 152.06 22.05 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 177.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 63.24 41.92 7.48 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 121.211 0.529 . . . . 0.0 110.271 -178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.7 p -70.57 129.98 40.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.413 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.3 m 55.93 47.23 20.45 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.276 0.56 . . . . 0.0 110.264 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -139.57 -131.99 0.12 Allowed 'General case' 0 N--CA 1.446 -0.647 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.775 -179.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 26.9 m95 -134.94 131.78 37.65 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.256 0.551 . . . . 0.0 111.24 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.457 HG21 ' NE ' ' A' ' 38' ' ' ARG . 15.0 p -169.56 44.12 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-O 122.749 1.261 . . . . 0.0 108.043 179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 42.2 p -60.15 121.87 62.37 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 113.904 -1.498 . . . . 0.0 111.905 -179.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.624 ' HB2' ' HD1' ' A' ' 33' ' ' TYR . 39.1 Cg_endo -66.42 143.46 69.74 Favored 'Trans proline' 0 N--CA 1.46 -0.487 0 C-N-CA 122.237 1.958 . . . . 0.0 111.413 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.825 ' HB2' ' H ' ' A' ' 33' ' ' TYR . 5.1 m120 -72.31 37.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -179.112 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.676 ' HB2' ' HB2' ' A' ' 33' ' ' TYR . 38.4 t70 -124.02 -41.13 2.23 Favored 'General case' 0 C--N 1.314 -0.951 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.0 m -76.24 -58.48 3.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.279 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.0 pp -127.07 -37.82 2.05 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.667 ' CB ' ' HA ' ' A' ' 16' ' ' ASN . 0.6 OUTLIER -66.69 -6.39 15.47 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.096 0.474 . . . . 0.0 110.494 179.099 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.02 -36.15 82.49 Favored 'General case' 0 CA--C 1.52 -0.198 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.333 178.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -54.25 -48.05 71.58 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.851 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.4 t-160 -58.48 -42.57 87.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.019 178.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 16' ' ' ASN . 80.1 m -68.06 -58.94 3.68 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.305 -0.861 . . . . 0.0 112.345 -179.675 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.511 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 87.4 mt -54.9 -37.52 41.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.934 -178.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.66 -35.07 75.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.54 179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.9 mtt85 -97.84 31.12 2.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.822 0.344 . . . . 0.0 111.803 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 76.4 mtm180 65.33 29.48 11.52 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 113.155 0.798 . . . . 0.0 113.155 178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.511 ' O ' ' HA ' ' A' ' 25' ' ' ILE . 56.4 m-85 -104.56 159.38 15.8 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 108.994 -0.743 . . . . 0.0 108.994 177.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.4 mtt180 -82.42 -44.11 16.47 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.108 0.48 . . . . 0.0 110.363 179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.42 ' O ' ' HB2' ' A' ' 43' ' ' ARG . . . 149.58 128.0 1.59 Allowed Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.597 -1.001 . . . . 0.0 110.597 -179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.755 ' HA2' ' HG3' ' A' ' 43' ' ' ARG . . . -74.39 -46.4 20.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.765 -0.731 . . . . 0.0 114.007 -178.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.825 ' H ' ' HB2' ' A' ' 16' ' ' ASN . 36.9 t80 55.14 43.04 30.13 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.752 0.787 . . . . 0.0 110.171 -179.512 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 48.7 t 67.96 133.41 0.03 OUTLIER 'General case' 0 C--N 1.34 0.194 0 CA-C-N 114.687 -1.142 . . . . 0.0 111.599 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -119.73 -168.25 1.56 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.655 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -56.75 -38.09 80.94 Favored Glycine 0 C--N 1.33 0.232 0 CA-C-N 116.239 -0.437 . . . . 0.0 113.394 -179.514 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 39' ' ' VAL . 30.5 mtpp -69.42 -8.1 43.64 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.114 0.413 . . . . 0.0 112.114 -179.637 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.457 ' NE ' HG21 ' A' ' 13' ' ' VAL . 8.5 tpt180 62.26 36.53 14.7 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.876 0.846 . . . . 0.0 109.815 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 40' ' ' CYS . 23.0 t -129.11 165.36 29.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.037 -0.983 . . . . 0.0 108.484 -179.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.483 ' HA ' ' OD1' ' A' ' 16' ' ' ASN . 1.8 m -70.44 61.82 0.23 Allowed 'General case' 0 CA--C 1.534 0.353 0 CA-C-O 120.881 0.372 . . . . 0.0 111.422 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.704 ' O ' ' HA3' ' A' ' 32' ' ' GLY . 22.5 t -83.86 131.08 34.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 178.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 95.6 m -87.11 136.26 32.99 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 113.229 0.825 . . . . 0.0 113.229 -178.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.755 ' HG3' ' HA2' ' A' ' 32' ' ' GLY . 77.6 mtm180 . . . . . 0 C--O 1.245 0.865 0 CA-C-O 118.578 -0.725 . . . . 0.0 109.128 178.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.012 0 N-CA-C 110.33 -0.248 . . . . 0.0 110.33 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.768 ' HB ' ' HG2' ' A' ' 38' ' ' ARG . 9.4 m -58.65 130.27 46.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.175 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.8 t -159.71 140.67 12.44 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -58.83 134.84 57.24 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.348 0.594 . . . . 0.0 110.784 -178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 20.9 tp -102.55 49.24 0.85 Allowed 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.642 -178.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.54 -46.48 88.17 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.527 0.68 . . . . 0.0 109.572 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 18.5 t -122.22 -126.48 0.26 Allowed 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.684 ' HA ' ' HG3' ' A' ' 11' ' ' GLN . 2.0 m-85 61.02 30.86 19.82 Favored 'General case' 0 N--CA 1.464 0.269 0 O-C-N 123.397 0.436 . . . . 0.0 111.505 178.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 18.5 m -65.37 -36.77 85.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.422 0.63 . . . . 0.0 110.162 179.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.3 m -143.8 44.89 1.48 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.684 ' HG3' ' HA ' ' A' ' 8' ' ' PHE . 18.7 pt20 -165.45 56.13 0.11 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 114.715 -1.129 . . . . 0.0 109.3 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 33.1 m95 -69.53 143.89 53.29 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.927 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 17.1 t 55.28 54.02 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 111.11 179.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.52 HG21 ' HB2' ' A' ' 11' ' ' GLN . 5.0 p -110.14 142.23 25.5 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.605 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.511 ' C ' ' H ' ' A' ' 17' ' ' ASP . 20.0 Cg_exo -67.39 -160.01 0.05 OUTLIER 'Trans proline' 0 C--O 1.234 0.279 0 C-N-CA 122.993 2.462 . . . . 0.0 112.691 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.65 ' HA ' ' HB2' ' A' ' 21' ' ' ALA . 51.0 t30 69.57 -27.05 0.15 Allowed 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.594 -0.73 . . . . 0.0 111.862 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.814 ' HB2' ' HA ' ' A' ' 33' ' ' TYR . 44.8 t0 57.39 40.34 27.52 Favored 'General case' 0 CA--C 1.517 -0.297 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 -179.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.8 t 70.44 -41.97 0.51 Allowed 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 114.177 -1.374 . . . . 0.0 112.632 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -161.39 -27.53 0.05 Allowed 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -179.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 12.1 t -51.76 -32.28 30.16 Favored 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.906 0.706 . . . . 0.0 112.906 -177.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.65 ' HB2' ' HA ' ' A' ' 16' ' ' ASN . . . -57.13 -30.08 64.11 Favored 'General case' 0 N--CA 1.464 0.234 0 N-CA-C 111.366 0.135 . . . . 0.0 111.366 179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -55.99 -40.63 73.61 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-O 120.856 0.36 . . . . 0.0 110.785 179.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 17.6 t-160 -64.01 -39.17 93.5 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.199 -0.667 . . . . 0.0 109.199 178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.653 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 72.8 m -66.95 -44.47 80.48 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.316 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.483 HG13 ' O ' ' A' ' 21' ' ' ALA . 88.0 mt -58.02 -35.44 52.3 Favored 'Isoleucine or valine' 0 C--O 1.234 0.248 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.902 179.549 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -58.07 -39.94 79.79 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.285 0.564 . . . . 0.0 109.988 178.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.2 mmt85 -92.3 16.46 11.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.528 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 62.6 mmt-85 64.9 35.22 8.54 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 178.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.653 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 35.8 m-85 -97.99 153.5 18.34 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 176.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -63.15 -44.6 95.08 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.249 0.547 . . . . 0.0 110.778 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.55 ' O ' ' HA ' ' A' ' 42' ' ' CYS . . . 172.84 -145.2 8.31 Favored Glycine 0 N--CA 1.446 -0.651 0 N-CA-C 110.635 -0.986 . . . . 0.0 110.635 179.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 168.2 45.85 0.03 OUTLIER Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 119.699 -1.239 . . . . 0.0 113.374 179.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.814 ' HA ' ' HB2' ' A' ' 17' ' ' ASP . 29.9 p90 -65.17 130.34 42.99 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.644 0.222 . . . . 0.0 110.449 179.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.7 p -1.53 98.45 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.121 0 O-C-N 125.167 1.542 . . . . 0.0 113.857 -179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.576 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 2.3 m120 -79.28 -156.32 0.11 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.632 -0.713 . . . . 0.0 112.094 -178.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -60.47 -39.59 96.54 Favored Glycine 0 C--N 1.334 0.432 0 CA-C-N 115.769 -0.651 . . . . 0.0 112.858 -179.735 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.476 ' HB3' HG12 ' A' ' 39' ' ' VAL . 28.2 tptp -73.75 3.96 5.79 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.182 0.515 . . . . 0.0 110.431 179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.768 ' HG2' ' HB ' ' A' ' 2' ' ' THR . 1.9 mpp_? 60.45 37.53 19.79 Favored 'General case' 0 CA--C 1.521 -0.166 0 CA-C-O 121.8 0.81 . . . . 0.0 110.16 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.476 HG12 ' HB3' ' A' ' 37' ' ' LYS . 9.8 p -143.32 153.94 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.356 -179.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 36.9 t -66.07 122.18 16.84 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 120.985 0.422 . . . . 0.0 110.596 -179.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.576 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 65.1 t -136.3 115.41 15.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 109.227 -0.657 . . . . 0.0 109.227 179.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.55 ' HA ' ' O ' ' A' ' 31' ' ' GLY . 77.0 m -61.2 118.33 6.72 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.092 0.472 . . . . 0.0 110.883 -179.237 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.462 ' HD3' ' OD1' ' A' ' 35' ' ' ASN . 17.4 mmm180 . . . . . 0 C--O 1.247 0.958 0 CA-C-O 118.368 -0.825 . . . . 0.0 110.628 -179.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.118 0 CA-C-O 120.492 0.187 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.996 ' HA ' HG21 ' A' ' 13' ' ' VAL . 23.7 m 72.08 124.34 0.03 OUTLIER 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.988 -179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.428 ' HB3' ' O ' ' A' ' 38' ' ' ARG . 19.1 m -69.9 122.09 18.6 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.747 -0.661 . . . . 0.0 111.668 -179.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 47.2 t0 53.88 69.48 0.71 Allowed 'General case' 0 N--CA 1.466 0.328 0 O-C-N 123.856 0.723 . . . . 0.0 112.177 178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 19.9 mt -57.98 109.49 0.75 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.992 0.425 . . . . 0.0 110.56 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -175.82 72.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.314 -0.857 . . . . 0.0 108.79 -179.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.456 ' O ' ' HB3' ' A' ' 8' ' ' PHE . 72.7 m 64.03 -142.7 0.3 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.498 -178.16 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.456 ' HB3' ' O ' ' A' ' 7' ' ' SER . 28.3 t80 69.76 127.63 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.174 0.512 . . . . 0.0 111.079 179.811 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 17.2 m -64.01 116.01 5.47 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.371 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.7 t -84.43 127.54 34.07 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.585 -179.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -116.21 39.58 3.06 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.0 t-105 69.84 107.27 0.06 Allowed 'General case' 0 C--O 1.233 0.209 0 CA-C-N 114.622 -1.172 . . . . 0.0 110.707 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.996 HG21 ' HA ' ' A' ' 2' ' ' THR . 81.9 t -66.02 128.45 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.769 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.579 ' O ' ' HB3' ' A' ' 18' ' ' SER . 22.1 m -148.77 121.55 4.5 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.959 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.57 ' HA ' ' CB ' ' A' ' 33' ' ' TYR . 80.1 Cg_endo -76.85 -145.77 0.03 OUTLIER 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.27 2.647 . . . . 0.0 112.889 -179.504 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.584 ' O ' ' HA2' ' A' ' 32' ' ' GLY . 1.2 t-20 66.45 -67.35 0.16 Allowed 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 123.671 0.788 . . . . 0.0 112.062 179.837 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -173.79 28.2 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.097 0.475 . . . . 0.0 111.914 -179.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.579 ' HB3' ' O ' ' A' ' 14' ' ' THR . 43.6 t -79.6 116.35 19.75 Favored 'General case' 0 C--N 1.312 -1.065 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.904 -179.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 41.9 mt 64.64 -53.66 0.29 Allowed 'General case' 0 N--CA 1.474 0.751 0 N-CA-C 114.172 1.175 . . . . 0.0 114.172 177.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.485 ' HB3' ' HA ' ' A' ' 33' ' ' TYR . 48.9 t -58.12 -40.35 81.0 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.857 0.36 . . . . 0.0 110.81 -178.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -57.03 -36.07 70.01 Favored 'General case' 0 C--O 1.223 -0.307 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.798 179.705 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.54 -43.57 80.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.904 0.383 . . . . 0.0 110.891 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -71.34 -37.01 71.72 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.497 -0.556 . . . . 0.0 109.497 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 73.7 m -65.42 -46.67 79.07 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.429 -0.805 . . . . 0.0 110.998 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 78.2 mt -60.69 -36.75 72.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.176 -0.676 . . . . 0.0 109.176 178.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -60.42 -40.1 89.82 Favored 'General case' 0 N--CA 1.453 -0.286 0 CA-C-N 115.516 -0.766 . . . . 0.0 109.727 177.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.8 mmt-85 -84.7 17.12 2.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.035 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.4 mtp180 64.52 29.48 13.22 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 179.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -92.75 -168.54 1.98 Allowed 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 177.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -89.47 -57.25 2.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.89 0.376 . . . . 0.0 110.068 178.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 135.94 148.04 5.51 Favored Glycine 0 N--CA 1.447 -0.608 0 C-N-CA 120.436 -0.888 . . . . 0.0 113.023 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.584 ' HA2' ' O ' ' A' ' 16' ' ' ASN . . . 177.93 -150.94 10.26 Favored Glycine 0 N--CA 1.446 -0.655 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 179.601 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.829 ' HE2' HG13 ' A' ' 13' ' ' VAL . 10.5 t80 -150.43 -129.26 0.05 OUTLIER 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.598 ' HA ' ' O ' ' A' ' 39' ' ' VAL . 56.6 m -78.36 109.83 12.86 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.161 0.505 . . . . 0.0 110.488 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.493 ' HB3' ' H ' ' A' ' 36' ' ' GLY . 18.9 m-80 -87.94 -147.15 0.15 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.384 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.493 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -58.32 -30.78 65.04 Favored Glycine 0 C--N 1.332 0.349 0 C-N-CA 121.311 -0.471 . . . . 0.0 112.518 179.464 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -67.71 -13.14 61.85 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 111.54 0.2 . . . . 0.0 111.54 179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' A' ' 3' ' ' CYS . 0.5 OUTLIER 65.0 32.38 10.53 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-O 121.384 0.611 . . . . 0.0 110.397 -178.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.598 ' O ' ' HA ' ' A' ' 34' ' ' CYS . 29.7 t -151.64 159.74 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 107.069 -1.456 . . . . 0.0 107.069 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 8.0 t -51.47 111.28 0.56 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 121.067 0.461 . . . . 0.0 110.313 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 39' ' ' VAL . 54.6 t -126.25 128.48 71.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.825 -179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 79.1 m -83.12 139.31 33.27 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.339 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 . . . . . 0 C--O 1.249 1.064 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.099 -179.312 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.996 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 17.5 p 49.06 56.94 7.02 Favored 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 123.019 0.527 . . . . 0.0 111.985 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.8 m 61.68 44.25 9.04 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.843 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 36.02 66.92 0.33 Allowed 'General case' 0 N--CA 1.472 0.652 0 O-C-N 124.174 0.921 . . . . 0.0 112.708 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 56.7 tp -63.88 -41.84 97.65 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.123 178.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -81.85 126.74 32.24 Favored 'General case' 0 N--CA 1.447 -0.597 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 177.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.3 p 53.87 79.44 0.13 Allowed 'General case' 0 N--CA 1.466 0.368 0 O-C-N 123.862 0.726 . . . . 0.0 111.061 -178.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -49.91 117.71 2.46 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.273 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.4 m -125.72 -44.39 1.81 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.618 -179.011 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.0 m -68.47 84.08 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.29 0.567 . . . . 0.0 111.796 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -163.29 36.3 0.09 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.373 179.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.2 m95 -89.76 -159.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.05 179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 2.9 p -73.2 112.88 10.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 108.498 -0.926 . . . . 0.0 108.498 177.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.65 HG22 ' HD2' ' A' ' 15' ' ' PRO . 1.3 m 71.13 144.72 0.11 Allowed Pre-proline 0 N--CA 1.467 0.408 0 N-CA-C 109.017 -0.734 . . . . 0.0 109.017 -177.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.65 ' HD2' HG22 ' A' ' 14' ' ' THR . 81.6 Cg_exo -45.75 143.94 6.0 Favored 'Trans proline' 0 C--N 1.35 0.649 0 C-N-CA 122.201 1.934 . . . . 0.0 111.535 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -57.04 -18.42 14.03 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-O 121.506 0.67 . . . . 0.0 110.032 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 1.028 ' HB3' ' HB2' ' A' ' 21' ' ' ALA . 88.6 m-20 44.79 41.93 5.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 114.301 -1.318 . . . . 0.0 113.397 177.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 15.3 t -78.2 118.6 20.58 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 97.0 mt 69.59 -48.31 0.61 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.781 0.832 . . . . 0.0 112.087 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 82.8 m -56.43 -37.8 70.72 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 122.505 0.322 . . . . 0.0 111.494 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 1.028 ' HB2' ' HB3' ' A' ' 17' ' ' ASP . . . -54.49 -44.33 72.55 Favored 'General case' 0 C--O 1.224 -0.283 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.247 -179.712 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -56.28 -49.74 73.37 Favored 'General case' 0 C--O 1.233 0.212 0 CA-C-O 120.639 0.257 . . . . 0.0 111.491 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 84.0 t60 -64.39 -42.02 96.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.118 0.485 . . . . 0.0 110.588 179.421 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.573 ' HB3' ' HB2' ' A' ' 29' ' ' TYR . 82.5 m -65.21 -48.68 72.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.778 -0.647 . . . . 0.0 111.248 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 96.3 mt -58.39 -33.99 49.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.0 0.428 . . . . 0.0 110.293 179.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.47 -31.06 65.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.05 178.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 72.3 mtt-85 -109.94 28.46 8.57 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.58 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 83.4 mtt-85 63.41 37.79 10.49 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.573 ' HB2' ' HB3' ' A' ' 24' ' ' CYS . 79.8 m-85 -107.33 153.2 23.1 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 177.123 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 34.6 mmt180 -68.9 -45.58 70.55 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 178.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.68 -148.81 9.24 Favored Glycine 0 N--CA 1.444 -0.817 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 151.05 52.75 0.01 OUTLIER Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 119.423 -1.37 . . . . 0.0 114.054 178.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.682 ' HB2' ' HA ' ' A' ' 17' ' ' ASP . 41.1 t80 -83.16 121.44 27.07 Favored 'General case' 0 C--N 1.32 -0.692 0 C-N-CA 119.972 -0.691 . . . . 0.0 110.414 179.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.449 ' HA ' ' C ' ' A' ' 39' ' ' VAL . 83.4 m 38.17 84.04 0.02 OUTLIER 'General case' 0 CA--C 1.531 0.23 0 O-C-N 124.246 0.966 . . . . 0.0 113.352 178.2 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.462 ' HB3' ' H ' ' A' ' 36' ' ' GLY . 3.3 m120 -71.23 -158.64 0.04 OUTLIER 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.026 0.441 . . . . 0.0 111.375 179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.462 ' H ' ' HB3' ' A' ' 35' ' ' ASN . . . -58.63 -35.46 81.04 Favored Glycine 0 C--N 1.33 0.209 0 CA-C-N 116.084 -0.507 . . . . 0.0 113.27 -179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.416 ' NZ ' ' HB3' ' A' ' 37' ' ' LYS . 3.6 mmmp? -74.15 15.04 0.35 Allowed 'General case' 0 CA--C 1.535 0.389 0 N-CA-C 112.469 0.544 . . . . 0.0 112.469 -179.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 54.39 36.3 25.13 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.1 0.476 . . . . 0.0 110.995 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.449 ' C ' ' HA ' ' A' ' 34' ' ' CYS . 9.6 p -149.21 150.02 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.636 0 CA-C-N 115.929 -0.578 . . . . 0.0 109.722 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 43.6 t -63.16 120.68 11.97 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.72 0.295 . . . . 0.0 110.838 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.4 t -145.66 126.01 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.4 ' HB3' ' CG ' ' A' ' 29' ' ' TYR . 97.4 m -67.82 139.22 56.57 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.953 0.406 . . . . 0.0 111.147 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 . . . . . 0 C--O 1.25 1.131 0 CA-C-O 118.692 -0.671 . . . . 0.0 110.397 -179.413 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.013 0 CA-C-O 120.71 0.29 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.619 ' HA ' ' HB3' ' A' ' 6' ' ' ALA . 1.7 p -64.18 -41.05 97.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.741 -179.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -73.52 53.5 0.42 Allowed 'General case' 0 CA--C 1.532 0.282 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -160.08 53.95 0.34 Allowed 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 107.907 -1.145 . . . . 0.0 107.907 179.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.532 ' H ' ' HE2' ' A' ' 8' ' ' PHE . 55.0 mt 54.18 33.0 17.03 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.369 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.619 ' HB3' ' HA ' ' A' ' 2' ' ' THR . . . -101.83 46.33 0.94 Allowed 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.65 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 8.3 t 61.5 51.2 4.19 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.671 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . 0.759 ' HE1' ' HA ' ' A' ' 11' ' ' GLN . 6.9 p90 -84.38 152.15 24.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.186 179.188 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.6 t -63.12 141.23 58.84 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.515 -0.55 . . . . 0.0 109.515 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 30.9 p 51.92 -126.06 2.38 Favored 'General case' 0 N--CA 1.467 0.408 0 C-N-CA 123.026 0.53 . . . . 0.0 111.452 -179.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.759 ' HA ' ' HE1' ' A' ' 8' ' ' PHE . 18.6 pt20 -173.23 134.96 0.55 Allowed 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.059 0.457 . . . . 0.0 110.931 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.643 ' HH2' ' HA2' ' A' ' 36' ' ' GLY . 22.6 t-105 67.76 135.67 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.729 -1.123 . . . . 0.0 113.105 178.253 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.5 p 40.92 43.88 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 C-N-CA 124.547 1.139 . . . . 0.0 112.463 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 21.0 m -102.36 125.59 35.79 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.945 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.686 ' HA ' ' HB3' ' A' ' 33' ' ' TYR . 72.4 Cg_endo -74.6 50.92 2.5 Favored 'Trans proline' 0 C--N 1.343 0.256 0 C-N-CA 123.099 2.532 . . . . 0.0 112.643 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -101.54 21.69 13.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.173 0.511 . . . . 0.0 110.245 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -76.91 -43.1 36.91 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.941 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 16.0 t 69.42 -51.85 0.61 Allowed 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 124.047 0.939 . . . . 0.0 113.252 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 89.4 mt -68.76 -53.77 19.88 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.716 0.635 . . . . 0.0 112.716 -178.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -63.0 -43.34 99.04 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' O ' HG13 ' A' ' 25' ' ' ILE . . . -55.02 -45.62 75.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.965 -0.562 . . . . 0.0 111.441 179.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -57.51 -42.23 82.38 Favored 'General case' 0 N--CA 1.463 0.196 0 CA-C-O 121.219 0.533 . . . . 0.0 110.623 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 21.4 t-160 -64.78 -46.35 82.49 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.886 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.701 ' SG ' ' HA3' ' A' ' 32' ' ' GLY . 74.0 m -64.99 -45.64 84.74 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.05 -0.977 . . . . 0.0 112.819 -179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 21' ' ' ALA . 82.2 mt -55.2 -36.39 39.52 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.871 0.367 . . . . 0.0 111.042 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -57.37 -35.65 70.25 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.124 179.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -93.86 28.12 2.51 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.484 179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 65.39 38.88 5.49 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.931 0.715 . . . . 0.0 112.931 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -109.34 152.93 24.64 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 178.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 -66.69 -48.08 70.4 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.73 -179.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.53 122.4 0.68 Allowed Glycine 0 N--CA 1.445 -0.729 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.701 ' HA3' ' SG ' ' A' ' 24' ' ' CYS . . . -86.16 51.89 4.46 Favored Glycine 0 N--CA 1.446 -0.692 0 C-N-CA 121.139 -0.553 . . . . 0.0 113.305 -179.182 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . 0.686 ' HB3' ' HA ' ' A' ' 15' ' ' PRO . 4.1 p90 -65.55 157.76 28.86 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 116.88 0.34 . . . . 0.0 110.518 179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 40' ' ' CYS . 97.2 m -53.84 123.24 11.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.393 179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.438 ' OD1' ' HB ' ' A' ' 41' ' ' VAL . 5.4 m120 -77.65 -150.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.322 -179.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.643 ' HA2' ' HH2' ' A' ' 12' ' ' TRP . . . -79.54 -37.33 23.97 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.918 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.521 ' O ' HG23 ' A' ' 39' ' ' VAL . 9.4 mtpm? -78.49 28.33 0.2 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.73 44.4 27.78 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 121.606 0.717 . . . . 0.0 111.139 179.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.521 HG23 ' O ' ' A' ' 37' ' ' LYS . 93.3 t -142.32 129.32 19.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.588 ' HA ' ' HA ' ' A' ' 34' ' ' CYS . 13.8 p -78.09 123.18 26.56 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.438 ' HB ' ' OD1' ' A' ' 35' ' ' ASN . 94.1 t -132.48 130.95 60.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 -178.684 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.8 m -58.06 121.8 11.52 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.375 0.607 . . . . 0.0 111.331 -179.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.459 ' HD3' ' CE1' ' A' ' 33' ' ' TYR . 14.5 ptm180 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.116 -0.947 . . . . 0.0 108.988 -179.077 . . . . . . . . 1 1 . 1 stop_ save_